Geometry & MOs

Info

ID:	170545
PubChem CID:	75249496
Reduced:	ClNO7C25H28 (1)
Stoich.:	ABC7D25E28 (1)
Weight, g/mol:	533.10491
ΔH_f, kcal/mol:	-261.99
Dipole, Da:	6.16
IP(EA), eV:	-8.71(-0.99)
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-(6-bromonaphthalen-2-yl)oxypropanoate

Drug info:

PubChemData

Smile

CC(C(=O)OC1CC2CCC(C1)N2C)OC3=CC=C(C4=CC=CC=C43)Cl.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations