Geometry & MOs

Info

ID:	373505
PubChem CID:	131316248
Reduced:	ClSN2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	223.956248
ΔH_f, kcal/mol:	46.35
Dipole, Da:	2.34
IP(EA), eV:	-9.14(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-1-(chloromethyl)-3-methoxybenzene

Drug info:

PubChemData

Smile

CCC1=C(N=C(S1)C2CN(C2)CC3=CC=CC=C3)CCl

DOS

IR

Vibrations