Geometry & MOs

Info

ID:	172228
PubChem CID:	75482265
Reduced:	ON2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	244.096026
ΔH_f, kcal/mol:	55.22
Dipole, Da:	6.96
IP(EA), eV:	-9.21(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-(1-ethylpyrazol-4-yl)ethenyl]-5-nitropyridine

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=NN1)/C=C/C2=NC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations