Geometry & MOs

Info

ID:

298119

PubChem CID:

117647595

Reduced:

O3C13H16 (3)

Stoich.:

A3B13C16 (3)

Weight, g/mol:

409.217698

ΔHf, kcal/mol:

-279.6

Dipole, Da:

5.26

IP(EA), eV:

 -9.07(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[3-[(2,5-difluoro-4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CC1=C(C(=C2C(=C1O)C(=O)C34C(O3)C5CC6C4(O2)C(CC5=O)(OC6(C)C)C/C=C(\C)/C(=O)O)CC=C(C)C)O)/C)C

DOS

IR

Vibrations