Geometry & MOs

Info

ID:	271600
PubChem CID:	103685327
Reduced:	NOSC17H17 (1)
Stoich.:	ABCD17E17 (1)
Weight, g/mol:	239.152144
ΔH_f, kcal/mol:	26.57
Dipole, Da:	2.29
IP(EA), eV:	-8.85(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-3-[(2-methoxyphenyl)methylamino]butan-1-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CNCC(C3=CSC=C3)O

DOS

IR

Vibrations