Geometry & MOs

Info

ID:	271722
PubChem CID:	103689589
Reduced:	O2N3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	294.051968
ΔH_f, kcal/mol:	-26.26
Dipole, Da:	3.52
IP(EA), eV:	-8.24(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(1,3-dimethylpyrazol-4-yl)-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1NC(=O)C2=CC=CC=C2O)C

DOS

IR

Vibrations