Geometry & MOs

Info

ID:	12085
PubChem CID:	129870
Reduced:	NO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	193.110279
ΔH_f, kcal/mol:	-59.19
Dipole, Da:	1.66
IP(EA), eV:	-8.68(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-yl)butan-2-amine

Drug info:

PubChemData

Smile

CCC(CC1=CC2=C(C=C1)OCO2)N

DOS

IR

Vibrations