Geometry & MOs

Info

ID:	295829
PubChem CID:	117545172
Reduced:	ClNSC13H14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	226.120509
ΔH_f, kcal/mol:	18.26
Dipole, Da:	2.79
IP(EA), eV:	-9.09(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(dimethoxymethyl)-2,5-dimethoxy-4-methylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=C(N=C(S2)CCl)C

DOS

IR

Vibrations