Geometry & MOs

Info

ID:	126109
PubChem CID:	50951924
Reduced:	SN2O5C15H18 (1)
Stoich.:	AB2C5D15E18 (1)
Weight, g/mol:	231.100777
ΔH_f, kcal/mol:	-170.58
Dipole, Da:	3.44
IP(EA), eV:	-9.76(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]3CNC[C@@]3(C2)C(=O)O

DOS

IR

Vibrations