Geometry & MOs

Info

ID:	441243
PubChem CID:	135233769
Reduced:	O2N3C20H29 (1)
Stoich.:	A2B3C20D29 (1)
Weight, g/mol:	229.146664
ΔH_f, kcal/mol:	-40.56
Dipole, Da:	3.88
IP(EA), eV:	-8.52(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(aminomethyl)phenyl]-5,5-dimethylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC12CC1(C2C(C)(C)O)C3=NC4=C(C=C3)N(C(=O)N4C)CC(C)(C)C

DOS

IR

Vibrations