Geometry & MOs

Info

ID:	139381
PubChem CID:	52520580
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-68.28
Dipole, Da:	8.06
IP(EA), eV:	-8.62(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-N-[(2S)-butan-2-yl]-1-[2-(2-cyanoethylamino)-2-oxoethyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)[C@@H]1C[C@@H](N(C2=CC=CC=C12)CC(=O)NCCC#N)C

DOS

IR

Vibrations