Geometry & MOs

Info

ID:	132425
PubChem CID:	51361285
Reduced:	ClN2C20H21 (1)
Stoich.:	AB2C20D21 (1)
Weight, g/mol:	370.207885
ΔH_f, kcal/mol:	42.8
Dipole, Da:	2.79
IP(EA), eV:	-8.76(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-2-[methyl(2-phenylethyl)amino]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC2=C(N=C3N2C=C(C=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations