Geometry & MOs

Info

ID:	19222
PubChem CID:	558323
Reduced:	NO4C25H33 (1)
Stoich.:	AB4C25D33 (1)
Weight, g/mol:	411.240959
ΔH_f, kcal/mol:	-179.11
Dipole, Da:	4.5
IP(EA), eV:	-8.22(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(dimethylamino)phenyl]-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione

Drug info:

PubChemData

Smile

CC1(CC(=O)C(C(=O)C1)C(C2=CC=C(C=C2)N(C)C)C3=C(CC(CC3=O)(C)C)O)C

DOS

IR

Vibrations