Geometry & MOs

Info

ID:	222734
PubChem CID:	85332196
Reduced:	ON3C33H41 (1)
Stoich.:	AB3C33D41 (1)
Weight, g/mol:	508.304956
ΔH_f, kcal/mol:	1.88
Dipole, Da:	4.28
IP(EA), eV:	-8.57(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[2-(2-ethyl-9-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadecan-13-yl)ethoxy]naphthalen-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C4(CCN(CC4)C(=O)C5=C(C=CC=C5C)C)C

DOS

IR

Vibrations