Geometry & MOs

Info

ID:	291531
PubChem CID:	113384774
Reduced:	OSN2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	258.11907
ΔH_f, kcal/mol:	-4.23
Dipole, Da:	5.92
IP(EA), eV:	-9.03(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[4-(2-pyridin-2-ylethylsulfanyl)phenyl]methanamine

Drug info:

PubChemData

Smile

CNCC1=CC=C(C=C1)SCC(=O)NC2CC2

DOS

IR

Vibrations