Geometry & MOs

Info

ID:	30372
PubChem CID:	841208
Reduced:	N3O4C17H17 (1)
Stoich.:	A3B4C17D17 (1)
Weight, g/mol:	316.988945
ΔH_f, kcal/mol:	-19.77
Dipole, Da:	3.63
IP(EA), eV:	-8.82(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(2,3-dichlorophenyl)-1,5-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C=NNC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

DOS

IR

Vibrations