Geometry & MOs

Info

ID:

313542

PubChem CID:

126615725

Reduced:

N3O3C11H13 (1)

Stoich.:

A3B3C11D13 (1)

Weight, g/mol:

768.386

ΔHf, kcal/mol:

-85.4

Dipole, Da:

8.89

IP(EA), eV:

 -9.58(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[4-[[4-[[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]pyridin-2-yl]amino]-N-[2-[(3R)-3-hydroxypiperidin-1-yl]ethyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)C2CCN2C(=O)O

DOS

IR

Vibrations