Geometry & MOs

Info

ID:	241046
PubChem CID:	93621367
Reduced:	SN2O2C16H16 (1)
Stoich.:	AB2C2D16E16 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-48.05
Dipole, Da:	4.28
IP(EA), eV:	-8.96(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=C(C=C1)NC(=O)CC2)NC(=O)C3=CSC=C3

DOS

IR

Vibrations