Geometry & MOs

Info

ID:	83868
PubChem CID:	49862056
Reduced:	OC8H8 (4)
Stoich.:	AB8C8 (4)
Weight, g/mol:	445.200156
ΔH_f, kcal/mol:	-29.69
Dipole, Da:	2.47
IP(EA), eV:	-8.76(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-naphthalen-1-yl-3-[[4-oxo-4-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)butanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C=C(C1COC2(C3CC4CC(C3)CC2C4)OO1)C5=CC=C(C=C5)OC6=CC=C(C=C6)C7=CC=CC=C7

DOS

IR

Vibrations