Geometry & MOs

Info

ID:	32687
PubChem CID:	7847152
Reduced:	Cl2N2O3H18C21 (1)
Stoich.:	A2B2C3D18E21 (1)
Weight, g/mol:	390.194343
ΔH_f, kcal/mol:	-83.48
Dipole, Da:	2.03
IP(EA), eV:	-9.28(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations