Geometry & MOs

Info

ID:	73969
PubChem CID:	48421294
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	394.135114
ΔH_f, kcal/mol:	-76.52
Dipole, Da:	10.08
IP(EA), eV:	-8.26(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC=C)C)C(=O)COC2=CC3=C(C=C2)NC(=O)CC3

DOS

IR

Vibrations