Geometry & MOs

Info

ID:	70715
PubChem CID:	48413766
Reduced:	OSN5H19C20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	381.099252
ΔH_f, kcal/mol:	70.99
Dipole, Da:	4.44
IP(EA), eV:	-8.8(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-5-(furan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC=C(C=C2)SCC3=CN4C=CC=CC4=N3

DOS

IR

Vibrations