Geometry & MOs

Info

ID:

219548

PubChem CID:

85149169

Reduced:

O8C33H48 (1)

Stoich.:

A8B33C48 (1)

Weight, g/mol:

572.347489

ΔHf, kcal/mol:

-378.95

Dipole, Da:

7.94

IP(EA), eV:

 -9.3(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-methyl-3-phenyl-1-[4-(4-phenylpiperazin-1-yl)butyl]-5-(pyrrolidine-1-carbonyl)-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCCC1C(CCC2C1OC=CC2=O)OCCCCCCC3=C(C(=CC=C3)OCCCCCC(=O)O)CCC(=O)O

DOS

IR

Vibrations