Geometry & MOs

Info

ID:	172227
PubChem CID:	75481931
Reduced:	OSN3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	272.127326
ΔH_f, kcal/mol:	14.86
Dipole, Da:	1.57
IP(EA), eV:	-8.56(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-(5-tert-butyl-1H-pyrazol-4-yl)ethenyl]-5-nitropyridine

Drug info:

PubChemData

Smile

CCCN1C(=CC=N1)NC(=O)C2CC3=CC=CC=C3S2

DOS

IR

Vibrations