Geometry & MOs

Info

ID:	71002
PubChem CID:	48414166
Reduced:	O3N5C17H17 (1)
Stoich.:	A3B5C17D17 (1)
Weight, g/mol:	374.96354
ΔH_f, kcal/mol:	-59.9
Dipole, Da:	11.39
IP(EA), eV:	-9.28(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-iodo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CNC(=O)C2=CNC3=CC=CC=C3C2=O

DOS

IR

Vibrations