Geometry & MOs

Info

ID:	248272
PubChem CID:	103080158
Reduced:	ON2C5H8 (2)
Stoich.:	AB2C5D8 (2)
Weight, g/mol:	248.09094
ΔH_f, kcal/mol:	35.49
Dipole, Da:	6.35
IP(EA), eV:	-8.85(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1-methyl-4-nitropyrazol-3-yl)amino]methyl]phenol

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCCCC2CC2)[N+](=O)[O-]

DOS

IR

Vibrations