Geometry & MOs

Info

ID:	438967
PubChem CID:	135228728
Reduced:	NO5C32H39 (1)
Stoich.:	AB5C32D39 (1)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	-169.39
Dipole, Da:	3.77
IP(EA), eV:	-8.45(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-6-tert-butyl-N'-methanimidoyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-9-carboximidamide

Drug info:

PubChemData

Smile

CCCN1C=C(C=CC1=O)C2=C(C=C\3C(=C2)CC(C(=C)/C3=C\C(=O)/C(=C\C)/C(=O)OCC)C(C)(C)C)OC

DOS

IR

Vibrations