Geometry & MOs

Info

ID:	44077
PubChem CID:	10500659
Reduced:	NO6C21H29 (1)
Stoich.:	AB6C21D29 (1)
Weight, g/mol:	391.178358
ΔH_f, kcal/mol:	-248.6
Dipole, Da:	3.5
IP(EA), eV:	-8.82(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E)-1-ethylidene-9,10-dimethoxy-4-(4-methoxyphenyl)-7,11b-dihydro-6H-benzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1[C@H](CN[C@H]1CCC2OC(C(O2)C)C)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations