Geometry & MOs

Info

ID:

448979

PubChem CID:

135294946

Reduced:

O2N5H25C31 (1)

Stoich.:

A2B5C25D31 (1)

Weight, g/mol:

453.241627

ΔHf, kcal/mol:

101.51

Dipole, Da:

7.26

IP(EA), eV:

 -8.47(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-4-amino-3-[9-(6-methoxypyridin-3-yl)-7-(1-phenylethyl)-6,7-dihydro-5H-cyclohepta[b]pyridin-3-yl]pent-3-en-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC3=C(C(=CN3[C@@H](C4=CC=CC=C4)C5=CC=CC=N5)C6=CC=C(C=C6)C(=O)N)N=C2

DOS

IR

Vibrations