Geometry & MOs

Info

ID:	439099
PubChem CID:	135228862
Reduced:	N3O4C26H33 (1)
Stoich.:	A3B4C26D33 (1)
Weight, g/mol:	437.195071
ΔH_f, kcal/mol:	-110.49
Dipole, Da:	9.46
IP(EA), eV:	-9.15(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-methoxy-9-[1-(2-methoxyethyl)pyrazol-4-yl]-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)N(/C(=C\C=C)/C1=C(C=C2C(=C1)CC(N3C2=CC(=O)C(=C3)C(=O)O)C(C)(C)C)OC)N

DOS

IR

Vibrations