Geometry & MOs

Info

ID:	180014
PubChem CID:	76567043
Reduced:	O3N4C26H26 (1)
Stoich.:	A3B4C26D26 (1)
Weight, g/mol:	415.178358
ΔH_f, kcal/mol:	4.06
Dipole, Da:	6.93
IP(EA), eV:	-8.91(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-phenoxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CCOC3=C(C=CC(=C3)CN4C=CC=N4)CCC5NC(=O)ON5

DOS

IR

Vibrations