Geometry & MOs

Info

ID:	209658
PubChem CID:	80700136
Reduced:	NO2C13H21 (1)
Stoich.:	AB2C13D21 (1)
Weight, g/mol:	279.163457
ΔH_f, kcal/mol:	-62.2
Dipole, Da:	2.18
IP(EA), eV:	-9.29(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(3-fluoro-5-methylanilino)-3,3-dimethylcyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCC(C1)(C)C)NCC#C

DOS

IR

Vibrations