Geometry & MOs

Info

ID:

228072

PubChem CID:

87563330

Reduced:

F3O3N5C30H30 (1)

Stoich.:

A3B3C5D30E30 (1)

Weight, g/mol:

544.148903

ΔHf, kcal/mol:

-166.56

Dipole, Da:

8.64

IP(EA), eV:

 -9.31(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[2-(4-chlorophenoxy)acetyl]-3-prop-2-ynyl-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=C(C=C1)C(=O)N2CCC3=C(C2)C(=O)N(C(=N3)NCCC4=CC=C(C=C4)C(F)(F)F)CCC#C

DOS

IR

Vibrations