Geometry & MOs

Info

ID:	266682
PubChem CID:	103579090
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	235.100857
ΔH_f, kcal/mol:	-64.13
Dipole, Da:	3.64
IP(EA), eV:	-8.61(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-methoxy-N-pent-1-yn-3-ylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations