Geometry & MOs

Info

ID:	183952
PubChem CID:	77092443
Reduced:	ON4C20H22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	252.16602
ΔH_f, kcal/mol:	44.29
Dipole, Da:	5.49
IP(EA), eV:	-9.18(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(4-methylpyridin-2-yl)-N-(3-methylsulfanylpropyl)propan-2-amine

Drug info:

PubChemData

Smile

C1CN(CCC1(C2=CN=CC=C2)O)CC3=CC=C(C=C3)N4C=CN=C4

DOS

IR

Vibrations