Geometry & MOs

Info

ID:	209129
PubChem CID:	80627755
Reduced:	NS2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	275.030226
ΔH_f, kcal/mol:	7.46
Dipole, Da:	2.56
IP(EA), eV:	-8.47(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dichlorophenyl)-(thian-2-yl)methanamine

Drug info:

PubChemData

Smile

CCCNC(C1CCCS1)C2=CC=CS2

DOS

IR

Vibrations