Geometry & MOs

Info

ID:	209795
PubChem CID:	80723808
Reduced:	NS2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	290.145285
ΔH_f, kcal/mol:	46.55
Dipole, Da:	1.81
IP(EA), eV:	-8.48(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

CCCNC(C1=CC(=C(C=C1)C)C)C2=CC3=C(S2)C=CS3

DOS

IR

Vibrations