Geometry & MOs

Info

ID:

188656

PubChem CID:

77748931

Reduced:

O3N4C21H21 (1)

Stoich.:

A3B4C21D21 (1)

Weight, g/mol:

212.188863

ΔHf, kcal/mol:

-24.31

Dipole, Da:

4.38

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.058741

Charge, e:

 0

Chem-info

IUPAC name:

5-[(3,3-dimethylpentylamino)methyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)C3C=CC=CC3=[N+](C2=O)CCCN4C=CN=C4

DOS

IR

Vibrations