Geometry & MOs

Info

ID:	249150
PubChem CID:	103087230
Reduced:	ClNSC12H18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	257.100499
ΔH_f, kcal/mol:	-7.35
Dipole, Da:	5.37
IP(EA), eV:	-8.23(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenyl)ethyl]-4-methylsulfanylbutan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NCCCCSC

DOS

IR

Vibrations