Geometry & MOs

Info

ID:

81156

PubChem CID:

49854413

Reduced:

NOC7H7 (5)

Stoich.:

ABC7D7 (5)

Weight, g/mol:

673.286446

ΔHf, kcal/mol:

-83.24

Dipole, Da:

4.35

IP(EA), eV:

 -8.64(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-7-methyl-2-oxo-1,5-diphenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3)C(=NC(=O)N2C4=CC=CC=C4)N5CCN(CC5)CC6=CC7=C(C=C6)OCO7)C

DOS

IR

Vibrations