Geometry & MOs

Info

ID:	373853
PubChem CID:	131320679
Reduced:	N2O3C10H10 (1)
Stoich.:	A2B3C10D10 (1)
Weight, g/mol:	206.069142
ΔH_f, kcal/mol:	-44.2
Dipole, Da:	4.34
IP(EA), eV:	-9.81(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-6-methoxy-4H-1,3-benzodioxine-7-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)C(C1=C2C=NOC2=CC=C1)N

DOS

IR

Vibrations