Geometry & MOs

Info

ID:	249269
PubChem CID:	103088205
Reduced:	NSC14H23 (1)
Stoich.:	ABC14D23 (1)
Weight, g/mol:	257.100499
ΔH_f, kcal/mol:	-5.42
Dipole, Da:	1.57
IP(EA), eV:	-8.52(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](C)NCCCCSC

DOS

IR

Vibrations