Geometry & MOs

Info

ID:	342261
PubChem CID:	127265038
Reduced:	O2N6C11H14 (1)
Stoich.:	A2B6C11D14 (1)
Weight, g/mol:	280.102334
ΔH_f, kcal/mol:	59.4
Dipole, Da:	6.18
IP(EA), eV:	-9.51(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-(2,6-difluorophenyl)cyclopropyl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)NCCCN2C=NC=N2)[N+](=O)[O-]

DOS

IR

Vibrations