Geometry & MOs

Info

ID:	439096
PubChem CID:	135228859
Reduced:	N2O3C25H26 (1)
Stoich.:	A2B3C25D26 (1)
Weight, g/mol:	433.236542
ΔH_f, kcal/mol:	-91.12
Dipole, Da:	12.43
IP(EA), eV:	-9.63(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-10-methoxy-9-[1-(2-methylpropyl)pyrazol-4-yl]-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N3C=C(C(=O)C=C3C2=C1)C(=O)O)C(C)C)C4=CN=C(C=C4)C

DOS

IR

Vibrations