Geometry & MOs

Info

ID:	438759
PubChem CID:	135228513
Reduced:	O2N3C32H45 (1)
Stoich.:	A2B3C32D45 (1)
Weight, g/mol:	442.262028
ΔH_f, kcal/mol:	-49.85
Dipole, Da:	2.66
IP(EA), eV:	-8.05(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-3-(1-ethoxyethenyl)-10-methoxy-2-methylidene-9-(6-methylpyridin-3-yl)-6,7-dihydrobenzo[a]quinolizine

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N/C=C(\C(=C)/C=C(/C2=C1)\C)/C(=O)OCC)C(C)(C)C)/C(=C/N)/C=NCCC(=C)C

DOS

IR

Vibrations