Geometry & MOs

Info

ID:

427272

PubChem CID:

135156564

Reduced:

N3O5C11H13 (1)

Stoich.:

A3B5C11D13 (1)

Weight, g/mol:

695.322003

ΔHf, kcal/mol:

-170.19

Dipole, Da:

3.57

IP(EA), eV:

 -9.44(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[7-cyano-2-[3-[3-[[3-[[[(2R)-2-hydroxypropyl]amino]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-1,3-benzoxazol-5-yl]methyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1COC2=C(CN1C(=O)CO)C=C(C=N2)NC(=O)O

DOS

IR

Vibrations