Geometry & MOs

Info

ID:	29152
PubChem CID:	832006
Reduced:	SN2O2H18C19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	263.101839
ΔH_f, kcal/mol:	4.48
Dipole, Da:	3.52
IP(EA), eV:	-8.45(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethylpyrazol-1-yl)-(2-ethyl-4-nitropyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)/C=C/C3=CC=C(O3)C)C

DOS

IR

Vibrations