Geometry & MOs

Info

ID:	204380
PubChem CID:	79957303
Reduced:	OSN2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	284.111398
ΔH_f, kcal/mol:	-40.35
Dipole, Da:	3.93
IP(EA), eV:	-8.44(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-N,1-N-dimethyl-2-N-(2-methylthian-3-yl)benzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1C(CCCS1)NC2=CC=CC=C2C(=O)N(C)C

DOS

IR

Vibrations