Geometry & MOs

Info

ID:	145942
PubChem CID:	53616227
Reduced:	N5C11H17 (1)
Stoich.:	A5B11C17 (1)
Weight, g/mol:	343.135448
ΔH_f, kcal/mol:	66.49
Dipole, Da:	6.41
IP(EA), eV:	-8.91(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanothiolan-3-yl)-4-(2-oxo-3,4-dihydroquinolin-1-yl)butanamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCNCC2=NC=CN2C

DOS

IR

Vibrations