Geometry & MOs

Info

ID:	439097
PubChem CID:	135228860
Reduced:	N3O3C26H31 (1)
Stoich.:	A3B3C26D31 (1)
Weight, g/mol:	401.246713
ΔH_f, kcal/mol:	-69.36
Dipole, Da:	11.63
IP(EA), eV:	-8.99(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[10-methyl-2-methylidene-6-propan-2-yl-9-(1-propylpyrazol-4-yl)-6,7-dihydrobenzo[a]quinolizin-3-yl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations