Geometry & MOs

Info

ID:	439078
PubChem CID:	135228841
Reduced:	NO4C27H29 (1)
Stoich.:	AB4C27D29 (1)
Weight, g/mol:	458.293328
ΔH_f, kcal/mol:	-135.54
Dipole, Da:	12.15
IP(EA), eV:	-8.97(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(3E,5Z)-6-aminohepta-1,3,5-trien-3-yl]-3-butanoyl-6-tert-butyl-10-ethyl-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=C(C=C3C(=C2)CC(N4C3=CC(=O)C(=C4)C(=O)O)C(C)(C)C)OC

DOS

IR

Vibrations