Geometry & MOs

Info

ID:	294003
PubChem CID:	117421667
Reduced:	NO4C14H21 (1)
Stoich.:	AB4C14D21 (1)
Weight, g/mol:	267.147058
ΔH_f, kcal/mol:	-162.88
Dipole, Da:	4.53
IP(EA), eV:	-9.02(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[4-methoxy-3-(oxan-3-yloxy)phenyl]ethanol

Drug info:

PubChemData

Smile

CCCC1=CC(=C(C=C1OC)CC(C(=O)O)N)OC

DOS

IR

Vibrations