Geometry & MOs

Info

ID:	29488
PubChem CID:	834248
Reduced:	BrNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	308.165541
ΔH_f, kcal/mol:	-64.26
Dipole, Da:	5.78
IP(EA), eV:	-8.99(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-N-(3-piperidin-1-ylpropyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)[C@@H](C2=CC=C(C=C2)Br)NC(=O)C)O)C

DOS

IR

Vibrations