Geometry & MOs

Info

ID:	262494
PubChem CID:	103296822
Reduced:	FON2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	234.116841
ΔH_f, kcal/mol:	-66.69
Dipole, Da:	3.89
IP(EA), eV:	-8.78(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-fluoro-3-methyl-N-pent-3-ynylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C(=O)NCCC=C)N

DOS

IR

Vibrations