Geometry & MOs

Info

ID:

189755

PubChem CID:

77900472

Reduced:

ON5C18H29 (1)

Stoich.:

AB5C18D29 (1)

Weight, g/mol:

368.176979

ΔHf, kcal/mol:

-13.98

Dipole, Da:

4.21

IP(EA), eV:

-8.95(-0.05)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[1-[2-(3,4-dimethylphenoxy)acetyl]-4-propylpyrrolidin-3-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CCCC1CC(NN1)C(=O)NC2CCCN(C2)CC3=CN=CC=C3

DOS

IR

Vibrations