Geometry & MOs

Info

ID:

427959

PubChem CID:

135165583

Reduced:

ClO4N6C38H49 (1)

Stoich.:

AB4C6D38E49 (1)

Weight, g/mol:

644.314271

ΔHf, kcal/mol:

-135.87

Dipole, Da:

6.74

IP(EA), eV:

 -8.56(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[8-chloro-6-(pyrrolidin-1-ylmethyl)-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine

Drug info:

PubChemData

Smile

CCCN1CCC(=C(C1)C)N(C)C(C)C(=O)NC2=CC=CC(=C2Cl)C3=C(C(=CC=C3)NC(=O)C4=CC(=CN(C4=O)C)CN5CCC(C5)O)C

DOS

IR

Vibrations