Geometry & MOs

Info

ID:	266803
PubChem CID:	103579514
Reduced:	ON4C9H12 (1)
Stoich.:	AB4C9D12 (1)
Weight, g/mol:	219.089543
ΔH_f, kcal/mol:	43.48
Dipole, Da:	2.11
IP(EA), eV:	-10.36(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroxy-N-pent-1-yn-3-ylbenzamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)CN1C=NC=N1

DOS

IR

Vibrations