Geometry & MOs

Info

ID:	266800
PubChem CID:	103579497
Reduced:	NOC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	219.089543
ΔH_f, kcal/mol:	5.29
Dipole, Da:	3.27
IP(EA), eV:	-9.43(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydroxy-N-pent-1-yn-3-ylbenzamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=C(C=CC=C1C)C

DOS

IR

Vibrations