Geometry & MOs

Info

ID:	278271
PubChem CID:	103834484
Reduced:	N2O2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	262.113984
ΔH_f, kcal/mol:	-50.89
Dipole, Da:	3.4
IP(EA), eV:	-8.81(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-prop-2-ynylsulfanylethylamino)methyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC=C1CN[C@H](CO)C2=CC=CC=C2

DOS

IR

Vibrations