Geometry & MOs

Info

ID:	401463
PubChem CID:	135051349
Reduced:	PO2C19H19 (1)
Stoich.:	AB2C19D19 (1)
Weight, g/mol:	421.225308
ΔH_f, kcal/mol:	-2.15
Dipole, Da:	2.21
IP(EA), eV:	-9.06(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,6S)-5-(diethylamino)-6-(4-methoxybenzoyl)cyclohex-3-en-1-yl]-(4-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CCOC(=O)CCP1C(=C1C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations