Geometry & MOs

Info

ID:	159960
PubChem CID:	57304180
Reduced:	SN2O2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	331.251129
ΔH_f, kcal/mol:	-33.22
Dipole, Da:	4.22
IP(EA), eV:	-8.76(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-butoxyphenyl)-4-[butyl(methyl)amino]cyclohexan-1-one

Drug info:

PubChemData

Smile

CC(NC1=CC=CC=C1)S(=O)(=O)NC2=CC=CC=C2

DOS

IR

Vibrations