Geometry & MOs

Info

ID:	269345
PubChem CID:	103617065
Reduced:	BrNOSC14H16 (1)
Stoich.:	ABCDE14F16 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	15.97
Dipole, Da:	3.03
IP(EA), eV:	-8.88(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-4-ylmethyl)-2-(3-methoxyphenyl)ethanamine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CCNCC2=CSC(=C2)Br

DOS

IR

Vibrations