Geometry & MOs

Info

ID:	439003
PubChem CID:	135228765
Reduced:	N4O6C33H42 (1)
Stoich.:	A4B6C33D42 (1)
Weight, g/mol:	427.251129
ΔH_f, kcal/mol:	-193.31
Dipole, Da:	12.41
IP(EA), eV:	-8.57(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-10-ethyl-9-(4-methoxyphenyl)-3-prop-1-en-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(C1)C(=N/C=C(\C=C)/C2=C(C=C3C(=C2)CC(N4C3=CC(=O)C(=C4)C(=O)OCC)C(C)(C)C)OC)N

DOS

IR

Vibrations