Geometry & MOs

Info

ID:	170544
PubChem CID:	75249495
Reduced:	N2O9C35H42 (1)
Stoich.:	A2B9C35D42 (1)
Weight, g/mol:	489.15543
ΔH_f, kcal/mol:	-328.76
Dipole, Da:	5.45
IP(EA), eV:	-8.73(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-chloronaphthalen-1-yl)oxypropanoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)C(=O)O.C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O

DOS

IR

Vibrations