Geometry & MOs

Info

ID:	439034
PubChem CID:	135228797
Reduced:	N3O4C25H29 (1)
Stoich.:	A3B4C25D29 (1)
Weight, g/mol:	512.376664
ΔH_f, kcal/mol:	-117.54
Dipole, Da:	8.18
IP(EA), eV:	-9.3(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-9-[(2E,4Z)-6-(tert-butylamino)hepta-2,4,6-trien-3-yl]-10-ethyl-3-pent-1-en-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

CC(C)N1C(=CC=N1)C2=C(C=C3C(=C2)CC(N4C3=CC(=O)C(=C4)C(=O)O)C(C)(C)C)OC

DOS

IR

Vibrations