Geometry & MOs

Info

ID:	293700
PubChem CID:	117397137
Reduced:	NSO3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	257.098669
ΔH_f, kcal/mol:	-119.0
Dipole, Da:	7.76
IP(EA), eV:	-9.29(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dimethyl-1-benzothiophen-6-yl)-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)C(C)CN)S(=O)(=O)C

DOS

IR

Vibrations