Geometry & MOs

Info

ID:	31234
PubChem CID:	855296
Reduced:	N2O3C19H24 (1)
Stoich.:	A2B3C19D24 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	-137.4
Dipole, Da:	3.73
IP(EA), eV:	-8.92(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(C[C@@H]3CCCO3)C(=O)C)C

DOS

IR

Vibrations