Geometry & MOs

Info

ID:	438766
PubChem CID:	135228520
Reduced:	ON3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	378.230728
ΔH_f, kcal/mol:	-1.34
Dipole, Da:	5.6
IP(EA), eV:	-8.53(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[9-[(E)-1-aminoprop-1-en-2-yl]-6-tert-butyl-10-methoxy-2-methylidene-6,7-dihydrobenzo[a]quinolizin-3-yl]ethenol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CNC(=O)C)NN=C

DOS

IR

Vibrations