Geometry & MOs

Info

ID:	142815
PubChem CID:	53095402
Reduced:	ClO2N5H22C24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	36.47
Dipole, Da:	9.21
IP(EA), eV:	-9.08(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-ethyl-4-methylpyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C1)N2C=NC3=C2C=CC(=C3)C4=NOC(=N4)C5CC(=O)N(C5)C6=CC(=CC=C6)Cl

DOS

IR

Vibrations