Geometry & MOs

Info

ID:	71047
PubChem CID:	48414218
Reduced:	O3N5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	334.124132
ΔH_f, kcal/mol:	-43.95
Dipole, Da:	0.68
IP(EA), eV:	-9.6(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NCC3=C(NN=C3)C)C

DOS

IR

Vibrations