Geometry & MOs

Info

ID:	266715
PubChem CID:	103579177
Reduced:	NOC13H21 (1)
Stoich.:	ABC13D21 (1)
Weight, g/mol:	237.09652
ΔH_f, kcal/mol:	-14.93
Dipole, Da:	3.21
IP(EA), eV:	-9.65(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-difluoro-5-methyl-N-pent-1-yn-3-ylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations