Geometry & MOs

Info

ID:	160284
PubChem CID:	57309631
Reduced:	O2C25H32 (1)
Stoich.:	A2B25C32 (1)
Weight, g/mol:	160.996906
ΔH_f, kcal/mol:	-95.12
Dipole, Da:	6.08
IP(EA), eV:	-9.19(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyanopropoxymethanedithioic acid

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)CCC2=CC=C(C=C2)C3=CC=C(C=C3)CC(=O)O

DOS

IR

Vibrations