Geometry & MOs

Info

ID:	122457
PubChem CID:	50807462
Reduced:	N2O3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	352.178693
ΔH_f, kcal/mol:	-119.17
Dipole, Da:	6.96
IP(EA), eV:	-8.34(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-5-[(4-methylbenzoyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N(CC(C)C)CC(C)C)C(=O)O

DOS

IR

Vibrations