Geometry & MOs

Info

ID:	265731
PubChem CID:	103543151
Reduced:	N2O3C14H18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	262.131742
ΔH_f, kcal/mol:	-80.43
Dipole, Da:	2.46
IP(EA), eV:	-8.38(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-N-(cyclopropylmethyl)-N-ethyl-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CC1CC1CN(C)C(=O)C2=CC3=C(C=C2N)OCO3

DOS

IR

Vibrations