Geometry & MOs

Info

ID:

317946

PubChem CID:

126647931

Reduced:

NO3H33C44 (1)

Stoich.:

AB3C33D44 (1)

Weight, g/mol:

679.23832

ΔHf, kcal/mol:

73.35

Dipole, Da:

1.51

IP(EA), eV:

 -7.94(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 1-[6-(6-iodo-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pyridin-2-yl]-4-nonylcycloheptane-1-carboxylate

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC5=C(C=C4)C6=CC=CC(=C6OC5)/C=C\C=C)C7=CC8=C(C=C7)OC9=CC=CC=C9O8)C

DOS

IR

Vibrations