Geometry & MOs

Info

ID:

420095

PubChem CID:

135111116

Reduced:

N7O8C40H49 (1)

Stoich.:

A7B8C40D49 (1)

Weight, g/mol:

415.200825

ΔHf, kcal/mol:

-252.43

Dipole, Da:

8.4

IP(EA), eV:

 -8.23(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-oxo-3-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)propyl]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=CC(=NN2)C(=O)N[C@H]3CCCNC(=O)COC4=C(C=CC(=C4)CCCNC(=O)[C@H](NC(=O)[C@@H](NC3=O)CC5=CC=CC=C5)C(C)C)OC

DOS

IR

Vibrations