Geometry & MOs

Info

ID:	178898
PubChem CID:	76399111
Reduced:	N4O4C17H22 (1)
Stoich.:	A4B4C17D22 (1)
Weight, g/mol:	348.103397
ΔH_f, kcal/mol:	-94.97
Dipole, Da:	4.41
IP(EA), eV:	-9.48(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(3,4-difluorophenoxy)pyridin-3-yl]methyl]-5-oxopyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(C(=O)N)NC(=O)C1=NOC(=C1)CN(C)CC2=CC=CC=C2)O

DOS

IR

Vibrations