Geometry & MOs

Info

ID:	438973
PubChem CID:	135228734
Reduced:	N3O4C25H29 (1)
Stoich.:	A3B4C25D29 (1)
Weight, g/mol:	431.257277
ΔH_f, kcal/mol:	-102.63
Dipole, Da:	4.39
IP(EA), eV:	-9.14(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butanoyl-6-tert-butyl-10-ethyl-9-(2-methylpyrazol-3-yl)-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)C4=CC=NN4C)C(C)(C)C

DOS

IR

Vibrations