Geometry & MOs

Info

ID:

356574

PubChem CID:

127291800

Reduced:

O3N4C20H32 (1)

Stoich.:

A3B4C20D32 (1)

Weight, g/mol:

306.169191

ΔHf, kcal/mol:

-133.94

Dipole, Da:

5.04

IP(EA), eV:

-9.13(0.16)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

5-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)CCNC(=O)C3CCCCC3)C

DOS

IR

Vibrations