Geometry & MOs

Info

ID:	207006
PubChem CID:	80332263
Reduced:	NOC5H8 (2)
Stoich.:	ABC5D8 (2)
Weight, g/mol:	316.193297
ΔH_f, kcal/mol:	-64.83
Dipole, Da:	3.95
IP(EA), eV:	-9.22(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-N-(2,2-dimethylheptyl)-5-methyl-1H-pyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

CC(C1=CC(=NC=C1)OCCO)NC

DOS

IR

Vibrations