Geometry & MOs

Info

ID:	276774
PubChem CID:	103825140
Reduced:	BrNO3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	241.204179
ΔH_f, kcal/mol:	-113.63
Dipole, Da:	2.84
IP(EA), eV:	-9.07(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-2,2-dimethylbutyl)-4-methylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CCO)CNC(=O)/C=C/C1=C(C=CC(=C1)Br)OC

DOS

IR

Vibrations