Geometry & MOs

Info

ID:	4108
PubChem CID:	10776
Reduced:	NO2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	179.094629
ΔH_f, kcal/mol:	-47.57
Dipole, Da:	1.6
IP(EA), eV:	-8.69(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-N-methylethanamine

Drug info:

PubChemData

Smile

CNCCC1=CC2=C(C=C1)OCO2

DOS

IR

Vibrations