Geometry & MOs

Info

ID:

151327

PubChem CID:

53801074

Reduced:

N2O2C8H13 (1)

Stoich.:

A2B2C8D13 (1)

Weight, g/mol:

380.173607

ΔHf, kcal/mol:

-42.93

Dipole, Da:

2.38

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754880

Charge, e:

 0

Chem-info

IUPAC name:

ethenyl 3-[benzyl-[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(=C)C(=O)NCCC#[N+]CO

DOS

IR

Vibrations