Geometry & MOs

Info

ID:	197447
PubChem CID:	78965666
Reduced:	NOC3H3 (4)
Stoich.:	ABC3D3 (4)
Weight, g/mol:	251.188529
ΔH_f, kcal/mol:	-30.96
Dipole, Da:	6.67
IP(EA), eV:	-9.82(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hexylamino)-1-(3-methoxyphenyl)ethanol

Drug info:

PubChemData

Smile

C1COC(CN1)C(=O)NC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

DOS

IR

Vibrations