Geometry & MOs

Info

ID:	282284
PubChem CID:	103921282
Reduced:	ON2C13H26 (1)
Stoich.:	AB2C13D26 (1)
Weight, g/mol:	264.129634
ΔH_f, kcal/mol:	-33.5
Dipole, Da:	2.9
IP(EA), eV:	-8.72(2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[2-(3-hydroxypropylsulfanyl)ethylamino]ethyl]benzonitrile

Drug info:

PubChemData

Smile

CCOC1CC(C1)NCC(C)N(C)C2CC2

DOS

IR

Vibrations