Geometry & MOs

Info

ID:	397928
PubChem CID:	135031020
Reduced:	NO3H21C30 (1)
Stoich.:	AB3C21D30 (1)
Weight, g/mol:	258.125594
ΔH_f, kcal/mol:	5.75
Dipole, Da:	8.67
IP(EA), eV:	-8.53(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6-dimethoxy-5-methyl-2-(4-methylphenyl)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)C4=CC5=CC=CC=C5C=C4C(=O)O

DOS

IR

Vibrations