Geometry & MOs

Info

ID:	192895
PubChem CID:	78322948
Reduced:	ON6H20C24 (1)
Stoich.:	AB6C20D24 (1)
Weight, g/mol:	404.08479
ΔH_f, kcal/mol:	106.88
Dipole, Da:	6.73
IP(EA), eV:	-8.51(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminophenyl)-N'-(5-bromopyridin-3-yl)heptanediamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=C(N(N=C2)C)C(=O)NC3=CC4=NC(=CN4C=C3)C5=CC=CC=C5

DOS

IR

Vibrations