Geometry & MOs

Info

ID:	50495
PubChem CID:	12013037
Reduced:	NC13H21 (1)
Stoich.:	AB13C21 (1)
Weight, g/mol:	136.001657
ΔH_f, kcal/mol:	-12.08
Dipole, Da:	1.99
IP(EA), eV:	-8.99(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-dithiane 1-oxide

Drug info:

PubChemData

Smile

C[C@H](CN)C1=CC=C(C=C1)CC(C)C

DOS

IR

Vibrations