Geometry & MOs

Info

ID:	438950
PubChem CID:	135228711
Reduced:	NC17H26 (2)
Stoich.:	AB17C26 (2)
Weight, g/mol:	390.230728
ΔH_f, kcal/mol:	10.17
Dipole, Da:	1.61
IP(EA), eV:	-8.26(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-10-ethyl-3-(1-hydroxyethenyl)-9-[(Z)-1-iminobut-2-en-2-yl]-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

CCCC(=C)/C(=C/C)/C(=C)/C=C(\C)/C1=C(C=C(C(=C1)CC)/C(=C/N)/C=NCC(C)C)CC(C)C(C)C

DOS

IR

Vibrations