Geometry & MOs

Info

ID:

194304

PubChem CID:

78513011

Reduced:

ON2C16H19 (1)

Stoich.:

AB2C16D19 (1)

Weight, g/mol:

275.126991

ΔHf, kcal/mol:

5.26

Dipole, Da:

3.25

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.388333

Charge, e:

 0

Chem-info

IUPAC name:

cyanomethyl 3-methyl-2-(phenylcarbamoylamino)butanoate

Drug info:

PubChemData

Smile

CC(C(=O)N)[NH2+]C(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations