Geometry & MOs

Info

ID:	359000
PubChem CID:	127297244
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	-59.8
Dipole, Da:	5.07
IP(EA), eV:	-8.6(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-4-oxo-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CN(CCO1)C2(CCCCC2)CNC(=O)CC3=C4C=CC=CC4=NN3)C

DOS

IR

Vibrations