Geometry & MOs

Info

ID:	288013
PubChem CID:	104307571
Reduced:	BrClNOC17H17 (1)
Stoich.:	ABCDE17F17 (1)
Weight, g/mol:	311.08848
ΔH_f, kcal/mol:	-27.36
Dipole, Da:	4.0
IP(EA), eV:	-8.97(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-bromopropyl)phenyl]-2,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)CCCBr)Cl

DOS

IR

Vibrations