Geometry & MOs

Info

ID:	311864
PubChem CID:	126598567
Reduced:	NOC4H6 (2)
Stoich.:	ABC4D6 (2)
Weight, g/mol:	396.179755
ΔH_f, kcal/mol:	-69.25
Dipole, Da:	7.6
IP(EA), eV:	-10.0(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3R,5R)-1-(2-cyanoacetyl)-5-methylpyrrolidin-3-yl]oxy-6-propan-2-yloxyquinoline-7-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)CC#N)O

DOS

IR

Vibrations