Geometry & MOs

Info

ID:	184091
PubChem CID:	77107122
Reduced:	FN2O2C17H17 (1)
Stoich.:	AB2C2D17E17 (1)
Weight, g/mol:	322.168128
ΔH_f, kcal/mol:	-88.02
Dipole, Da:	5.11
IP(EA), eV:	-9.21(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(7-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)C=CC(=C2)F)CNC3=C(C=CN=C3)C(=O)O

DOS

IR

Vibrations