Geometry & MOs

Info

ID:	439027
PubChem CID:	135228790
Reduced:	NC20H27 (1)
Stoich.:	AB20C27 (1)
Weight, g/mol:	459.324963
ΔH_f, kcal/mol:	66.91
Dipole, Da:	1.86
IP(EA), eV:	-8.76(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[9-[(1Z)-1-[amino(methyl)amino]-3-methylbuta-1,3-dienyl]-6-tert-butyl-10-ethyl-2-methylidene-6,7-dihydrobenzo[a]quinolizin-3-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(=N)C)CC(C)C(C)(C)C)C2=CC2=C

DOS

IR

Vibrations