Geometry & MOs

Info

ID:

168797

PubChem CID:

75020301

Reduced:

O2N3H17C18 (1)

Stoich.:

A2B3C17D18 (1)

Weight, g/mol:

625.318353

ΔHf, kcal/mol:

-14.07

Dipole, Da:

4.84

IP(EA), eV:

 -9.26(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-chlorophenyl)-1-[4-[7-(cyclobutylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2C=NC3=C(C2=O)C=CC(=N3)C

DOS

IR

Vibrations