Geometry & MOs

Info

ID:	274329
PubChem CID:	103808571
Reduced:	BrON2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	338.09938
ΔH_f, kcal/mol:	-48.18
Dipole, Da:	4.0
IP(EA), eV:	-9.12(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)C(CC(C)C)CN

DOS

IR

Vibrations