Geometry & MOs

Info

ID:	218397
PubChem CID:	85089286
Reduced:	O5H28C29 (1)
Stoich.:	A5B28C29 (1)
Weight, g/mol:	461.117207
ΔH_f, kcal/mol:	-149.36
Dipole, Da:	3.02
IP(EA), eV:	-9.5(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;1-[(2,2-dichloro-1-methylcyclopropyl)methyl]-4-[(4-fluorophenoxy)methyl]piperidine

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(C1=CC=CC=C1)OC(=O)C2C(C(CC2=O)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations