Geometry & MOs

Info

ID:

336341

PubChem CID:

127255348

Reduced:

O2N5C15H21 (1)

Stoich.:

A2B5C15D21 (1)

Weight, g/mol:

248.127326

ΔHf, kcal/mol:

-9.66

Dipole, Da:

7.14

IP(EA), eV:

-9.2(-0.3)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-(2,5-dimethylpyrrol-1-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NCCC1=CC=C(C=C1)O)N2C=NN=N2

DOS

IR

Vibrations