Geometry & MOs

Info

ID:	221388
PubChem CID:	85272352
Reduced:	NO2S2C9H15 (1)
Stoich.:	AB2C2D9E15 (1)
Weight, g/mol:	233.99055
ΔH_f, kcal/mol:	-65.31
Dipole, Da:	5.79
IP(EA), eV:	-8.89(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(iodomethylidene)hept-2-yne

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OCC=C)NC(=S)S

DOS

IR

Vibrations