Geometry & MOs

Info

ID:

433923

PubChem CID:

135174070

Reduced:

ClON8C35H37 (1)

Stoich.:

ABC8D35E37 (1)

Weight, g/mol:

767.335066

ΔHf, kcal/mol:

75.52

Dipole, Da:

7.06

IP(EA), eV:

 -8.0(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[[2-chloro-5-[(5-nitrosopyridin-3-yl)methoxy]-4-(pyrrolidin-1-ylmethyl)phenoxy]methyl]-2-methylphenyl]-2-methylphenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=CC3=CC(=CN=C32)CN4CCCC4)C5=C(C(=CC=C5)NC(=O)C6=NC7=C(N6C)CCN(C7)C)Cl

DOS

IR

Vibrations