Geometry & MOs

Info

ID:	293012
PubChem CID:	117369946
Reduced:	N3O3C12H13 (1)
Stoich.:	A3B3C12D13 (1)
Weight, g/mol:	247.095691
ΔH_f, kcal/mol:	-88.73
Dipole, Da:	7.49
IP(EA), eV:	-9.18(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-methoxy-4H-1,3-benzodioxin-7-yl)-1H-pyrazol-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(C(=O)O)N)N2C=CNC2=O

DOS

IR

Vibrations