Geometry & MOs

Info

ID:	198116
PubChem CID:	79050124
Reduced:	FNO2C16H24 (1)
Stoich.:	ABC2D16E24 (1)
Weight, g/mol:	279.163457
ΔH_f, kcal/mol:	-152.28
Dipole, Da:	3.3
IP(EA), eV:	-8.6(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(3-fluoro-5-methylanilino)cycloheptane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCC(CC)(C(=O)OC)NC1=CC(=CC(=C1)C)F

DOS

IR

Vibrations