Geometry & MOs

Info

ID:	265738
PubChem CID:	103543392
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-120.17
Dipole, Da:	2.1
IP(EA), eV:	-8.35(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylpentyl 6-amino-1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

CC(C(C)(C)C)NC(=O)C1=CC2=C(C=C1N)OCO2

DOS

IR

Vibrations