Geometry & MOs

Info

ID:	285541
PubChem CID:	104110853
Reduced:	BrNOC10H18 (1)
Stoich.:	ABCD10E18 (1)
Weight, g/mol:	331.15108
ΔH_f, kcal/mol:	-70.46
Dipole, Da:	3.85
IP(EA), eV:	-9.95(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromopentan-2-yl)-4-butylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(CC(C)Br)NC(=O)C1CCC1

DOS

IR

Vibrations