Geometry & MOs

Info

ID:	206369
PubChem CID:	80240860
Reduced:	ClFNC18H21 (1)
Stoich.:	ABCD18E21 (1)
Weight, g/mol:	287.132157
ΔH_f, kcal/mol:	-38.21
Dipole, Da:	3.18
IP(EA), eV:	-9.18(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(4-fluoro-3,5-dimethylphenyl)methylamino]methyl]benzoic acid

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)Cl)NCC2=CC(=C(C(=C2)C)F)C

DOS

IR

Vibrations