Geometry & MOs

Info

ID:	43632
PubChem CID:	10321570
Reduced:	N3O6C24H25 (1)
Stoich.:	A3B6C24D25 (1)
Weight, g/mol:	451.16444
ΔH_f, kcal/mol:	-176.9
Dipole, Da:	12.34
IP(EA), eV:	-9.92(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-aminopyridin-4-yl)methyl]-6-[4-[(3-cyanophenyl)methoxy]phenoxy]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CCCCNC(=O)C2=CC3=C(C=C2)OC=N3)C(=O)N[C@H](CC(=O)O)C=O

DOS

IR

Vibrations