Geometry & MOs

Info

ID:	70979
PubChem CID:	48414137
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	377.081016
ΔH_f, kcal/mol:	-34.3
Dipole, Da:	4.69
IP(EA), eV:	-9.4(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3

DOS

IR

Vibrations