Geometry & MOs

Info

ID:	438836
PubChem CID:	135228593
Reduced:	N3O6C28H33 (1)
Stoich.:	A3B6C28D33 (1)
Weight, g/mol:	387.256215
ΔH_f, kcal/mol:	-192.03
Dipole, Da:	9.97
IP(EA), eV:	-8.67(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-10-methoxy-2-methylidene-9-[(3E)-penta-1,3-dien-3-yl]-3-prop-1-en-2-yl-6,7-dihydrobenzo[a]quinolizine

Drug info:

PubChemData

Smile

CCOC(=O)CN1C=C(C=N1)C2=C(C=C3C(=C2)CC(N4C3=CC(=O)C(=C4)C(=O)OCC)C(C)(C)C)OC

DOS

IR

Vibrations