Geometry & MOs

Info

ID:	439052
PubChem CID:	135228815
Reduced:	N2O5C20H22 (1)
Stoich.:	A2B5C20D22 (1)
Weight, g/mol:	447.215806
ΔH_f, kcal/mol:	-187.46
Dipole, Da:	11.36
IP(EA), eV:	-9.63(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-acetyl-6-tert-butyl-10-methyl-2-oxo-6,7-dihydrobenzo[a]quinolizin-9-yl)pyrazol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)C(=O)N

DOS

IR

Vibrations