Geometry & MOs

Info

ID:	438986
PubChem CID:	135228747
Reduced:	O3N4C26H30 (1)
Stoich.:	A3B4C26D30 (1)
Weight, g/mol:	471.324963
ΔH_f, kcal/mol:	-57.63
Dipole, Da:	8.78
IP(EA), eV:	-8.56(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-10-ethyl-9-[1-(2-methylpropyl)pyrazol-4-yl]-3-pent-1-en-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

CC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)C4=CN=C(N=C4)N(C)C)C(C)(C)C

DOS

IR

Vibrations