Geometry & MOs

Info

ID:	247985
PubChem CID:	103077946
Reduced:	IN4C10H11 (1)
Stoich.:	AB4C10D11 (1)
Weight, g/mol:	246.111676
ΔH_f, kcal/mol:	88.96
Dipole, Da:	5.89
IP(EA), eV:	-8.01(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC2=CC=C(C=C2)I)N

DOS

IR

Vibrations