Geometry & MOs

Info

ID:	42870
PubChem CID:	8150122
Reduced:	ON2C14H16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	228.126263
ΔH_f, kcal/mol:	-11.81
Dipole, Da:	3.17
IP(EA), eV:	-9.55(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]quinoline-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)C1=NC2=CC=CC=C2C=C1

DOS

IR

Vibrations