Geometry & MOs

Info

ID:	194997
PubChem CID:	78618482
Reduced:	OSN2C7H10 (2)
Stoich.:	ABC2D7E10 (2)
Weight, g/mol:	255.145715
ΔH_f, kcal/mol:	2.25
Dipole, Da:	9.81
IP(EA), eV:	-8.55(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]piperidin-1-ium-3-ol

Drug info:

PubChemData

Smile

CC(=NNC(=S)NCC=C)C1=CC=C(C=C1)S(=O)(=O)N(C)C

DOS

IR

Vibrations