Geometry & MOs

Info

ID:	409466
PubChem CID:	135082248
Reduced:	MoN2C16H22 (1)
Stoich.:	AB2C16D22 (1)
Weight, g/mol:	206.079908
ΔH_f, kcal/mol:	188.34
Dipole, Da:	6.24
IP(EA), eV:	-6.29(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,6-dimethyl-1,3-dithian-2-yl)propan-2-ol

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC=C1.CN(C)C1=CC=CC=C1.[Mo]

DOS

IR

Vibrations