Geometry & MOs

Info

ID:	70988
PubChem CID:	48414148
Reduced:	O2N5C15H15 (1)
Stoich.:	A2B5C15D15 (1)
Weight, g/mol:	357.135638
ΔH_f, kcal/mol:	-5.34
Dipole, Da:	4.08
IP(EA), eV:	-9.35(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CC2=NNC(=O)C3=CC=CC=C32

DOS

IR

Vibrations