Geometry & MOs

Info

ID:	198567
PubChem CID:	79119773
Reduced:	BrN2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	211.193614
ΔH_f, kcal/mol:	-66.3
Dipole, Da:	4.15
IP(EA), eV:	-9.15(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl(2-methylpentyl)amino]cyclohexan-1-one

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC=C(C=C1)Br)C2CCC(=O)CC2

DOS

IR

Vibrations