Geometry & MOs

Info

ID:

441225

PubChem CID:

135233725

Reduced:

N2H34C45 (1)

Stoich.:

A2B34C45 (1)

Weight, g/mol:

428.32636

ΔHf, kcal/mol:

168.0

Dipole, Da:

3.25

IP(EA), eV:

 -7.75(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-3-amino-N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)pyridin-2-yl]-2,2-dimethylcyclohexyl]-2-(methyliminomethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N4C5=C(C=C(C=C5)C6=CC7=C(CC6)N(C8=CC=CC=C87)C9=CC=CC=C9)C1=CC=CC=C14)C

DOS

IR

Vibrations