Geometry & MOs

Info

ID:	162989
PubChem CID:	57581242
Reduced:	N2O2H26C29 (1)
Stoich.:	A2B2C26D29 (1)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-0.15
Dipole, Da:	1.1
IP(EA), eV:	-9.07(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)CCC(=O)NC2=CC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C

DOS

IR

Vibrations