Geometry & MOs

Info

ID:	342525
PubChem CID:	127265680
Reduced:	OSN4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	272.127326
ΔH_f, kcal/mol:	28.36
Dipole, Da:	8.41
IP(EA), eV:	-8.96(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[1-(2-methylpropyl)pyrazol-4-yl]ethenyl]-5-nitropyridine

Drug info:

PubChemData

Smile

CC(C)CN1C=C(C=N1)C=CC2=NC=C(S2)C(=O)NC

DOS

IR

Vibrations