Geometry & MOs

Info

ID:	31651
PubChem CID:	855981
Reduced:	ClN3H16C17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	315.077454
ΔH_f, kcal/mol:	82.44
Dipole, Da:	2.76
IP(EA), eV:	-8.24(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(furan-2-ylmethyl)-3-methyl-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CNC2=CC=CC=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations