Geometry & MOs

Info

ID:	261542
PubChem CID:	103239221
Reduced:	FO2N4H9C13 (1)
Stoich.:	AB2C4D9E13 (1)
Weight, g/mol:	281.141579
ΔH_f, kcal/mol:	-26.95
Dipole, Da:	5.46
IP(EA), eV:	-9.06(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C#N)NCC2=NC=NC=C2C(=O)O

DOS

IR

Vibrations