Geometry & MOs

Info

ID:	311510
PubChem CID:	126592983
Reduced:	N2O2C7H10 (2)
Stoich.:	A2B2C7D10 (2)
Weight, g/mol:	172.038043
ΔH_f, kcal/mol:	-76.53
Dipole, Da:	10.8
IP(EA), eV:	-9.28(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-prop-2-ynyldithiane

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1(CC1)CNC2=NC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations