Geometry & MOs

Info

ID:	294068
PubChem CID:	117426261
Reduced:	NF2O2C14H17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	269.122735
ΔH_f, kcal/mol:	-163.74
Dipole, Da:	5.09
IP(EA), eV:	-8.9(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(1-aminocyclohexyl)-2,3-difluorobenzoate

Drug info:

PubChemData

Smile

C1CCNC(C1)C2=C3C(=CC(=C2)C(F)F)OCCO3

DOS

IR

Vibrations