Geometry & MOs

Info

ID:	439130
PubChem CID:	135228895
Reduced:	O3N4C23H30 (1)
Stoich.:	A3B4C23D30 (1)
Weight, g/mol:	403.262363
ΔH_f, kcal/mol:	-36.25
Dipole, Da:	5.25
IP(EA), eV:	-9.12(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C(=C/C(C2CCN(CC2)C(=O)OC(C)C)N=O)/N3C=NC=C3C

DOS

IR

Vibrations