Geometry & MOs

Info

ID:

423580

PubChem CID:

135119767

Reduced:

O2N4C19H28 (1)

Stoich.:

A2B4C19D28 (1)

Weight, g/mol:

619.291846

ΔHf, kcal/mol:

-51.54

Dipole, Da:

4.91

IP(EA), eV:

 -8.67(0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-fluoro-23-methoxy-15-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3(8),4,6,21,24-hexaene-11,20-dione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(=O)N(CCN(C)C)CC2=CN=C(N2)C

DOS

IR

Vibrations