Geometry & MOs

Info

ID:	266806
PubChem CID:	103579533
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	241.071448
ΔH_f, kcal/mol:	-41.97
Dipole, Da:	3.33
IP(EA), eV:	-9.8(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5-trifluoro-N-pent-1-yn-3-ylbenzamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1C2CC3CC(C2)CC1C3

DOS

IR

Vibrations