Geometry & MOs

Info

ID:	136206
PubChem CID:	51998267
Reduced:	N3O4C17H17 (1)
Stoich.:	A3B4C17D17 (1)
Weight, g/mol:	352.153541
ΔH_f, kcal/mol:	-83.76
Dipole, Da:	4.92
IP(EA), eV:	-8.86(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)NC(=O)C2=CC(=O)C3=C(O2)C=C(C=C3)OC

DOS

IR

Vibrations