Geometry & MOs

Info

ID:	156233
PubChem CID:	56369752
Reduced:	NO2C23H23 (1)
Stoich.:	AB2C23D23 (1)
Weight, g/mol:	345.278013
ΔH_f, kcal/mol:	-24.2
Dipole, Da:	4.73
IP(EA), eV:	-9.1(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(azepan-1-yl)ethyl]-4-[[ethyl(propan-2-yl)amino]methyl]benzamide

Drug info:

PubChemData

Smile

CN(CCC1=CC=CC=C1)C(=O)C2=C(C=CC(=C2)CC3=CC=CC=C3)O

DOS

IR

Vibrations