Geometry & MOs

Info

ID:	1272
PubChem CID:	4076
Reduced:	NO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	-96.51
Dipole, Da:	4.2
IP(EA), eV:	-8.65(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4,5-trimethoxyphenyl)ethanamine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CCN

DOS

IR

Vibrations