Geometry & MOs

Info

ID:	315395
PubChem CID:	126625846
Reduced:	OF3N5C20H24 (1)
Stoich.:	AB3C5D20E24 (1)
Weight, g/mol:	427.161995
ΔH_f, kcal/mol:	-135.44
Dipole, Da:	3.31
IP(EA), eV:	-9.41(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N'-cyclopentyl-N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]carbamimidoyl]-3,4-difluorobenzamide

Drug info:

PubChemData

Smile

CC(C)N/C(=N\C(CC(C1=CC(=CC(=C1)F)F)N)N)/NC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations