Geometry & MOs

Info

ID:	292026
PubChem CID:	114147457
Reduced:	BrNOC16H22 (1)
Stoich.:	ABCD16E22 (1)
Weight, g/mol:	311.08848
ΔH_f, kcal/mol:	-60.02
Dipole, Da:	4.3
IP(EA), eV:	-9.18(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromopentyl)-2,4,6-trimethylbenzamide

Drug info:

PubChemData

Smile

CC(CCCNC(=O)C1CCC2=CC=CC=C2C1)Br

DOS

IR

Vibrations