Geometry & MOs

Info

ID:	209703
PubChem CID:	80706395
Reduced:	ON2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	283.138385
ΔH_f, kcal/mol:	-58.2
Dipole, Da:	4.66
IP(EA), eV:	-8.49(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(3,3-dimethylcyclopentyl)amino]-2,4-difluorobenzoate

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC=C(C=C1)NC2CCC(C2)(C)C

DOS

IR

Vibrations