Geometry & MOs

Info

ID:	293949
PubChem CID:	117419681
Reduced:	N2O4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	266.083747
ΔH_f, kcal/mol:	-160.19
Dipole, Da:	2.12
IP(EA), eV:	-9.12(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=CC=C1OC)C(CCC(=O)O)N

DOS

IR

Vibrations