Geometry & MOs

Info

ID:	1124
PubChem CID:	3818
Reduced:	NO4C18H23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	317.162708
ΔH_f, kcal/mol:	-125.15
Dipole, Da:	2.46
IP(EA), eV:	-8.24(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-hydroxyethyl]phenol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNCC(C2=CC=C(C=C2)O)O)OC

DOS

IR

Vibrations