Geometry & MOs

Info

ID:	4211
PubChem CID:	10971
Reduced:	NOC2H2 (2)
Stoich.:	ABC2D2 (2)
Weight, g/mol:	112.027277
ΔH_f, kcal/mol:	-23.14
Dipole, Da:	1.16
IP(EA), eV:	-10.97(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-ynediamide

Drug info:

PubChemData

Smile

C(#CC(=O)N)C(=O)N

DOS

IR

Vibrations