Geometry & MOs

Info

ID:	401464
PubChem CID:	135051350
Reduced:	NO4C26H31 (1)
Stoich.:	AB4C26D31 (1)
Weight, g/mol:	429.126234
ΔH_f, kcal/mol:	-99.15
Dipole, Da:	5.93
IP(EA), eV:	-8.67(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C1C=CC[C@H]([C@@H]1C(=O)C2=CC=C(C=C2)OC)C(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations