Geometry & MOs

Info

ID:	266681
PubChem CID:	103579026
Reduced:	NOF2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-66.11
Dipole, Da:	3.74
IP(EA), eV:	-10.14(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethoxy-N-pent-1-yn-3-ylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations