Geometry & MOs

Info

ID:	55780
PubChem CID:	17396503
Reduced:	FO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	321.147727
ΔH_f, kcal/mol:	-37.39
Dipole, Da:	3.09
IP(EA), eV:	-8.84(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-N-(furan-2-ylmethyl)-N-methyl-2-phenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2=CC(=CC=C2)OC)NC(=O)/C=C/C3=CC=C(C=C3)F

DOS

IR

Vibrations