Geometry & MOs

Info

ID:	427244
PubChem CID:	135156388
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	363.231063
ΔH_f, kcal/mol:	-141.38
Dipole, Da:	5.22
IP(EA), eV:	-9.62(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminophenyl)-4-[[4-(2-methylprop-1-enyl)piperidin-1-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2(C1)CN(C2)CC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations