Geometry & MOs

Info

ID:	216248
PubChem CID:	85085947
Reduced:	ON3H4C5 (2)
Stoich.:	AB3C4D5 (2)
Weight, g/mol:	246.110338
ΔH_f, kcal/mol:	81.11
Dipole, Da:	6.0
IP(EA), eV:	-9.87(-2.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4,5-dihydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2C3=C(N=NC2=O)N=NC(=O)N(C3=N1)C

DOS

IR

Vibrations