Geometry & MOs

Info

ID:

313966

PubChem CID:

126619216

Reduced:

Cl2F3N3O5H26C27 (1)

Stoich.:

A2B3C3D5E26F27 (1)

Weight, g/mol:

491.197569

ΔHf, kcal/mol:

-314.19

Dipole, Da:

3.02

IP(EA), eV:

 -8.89(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[4-[(4-chlorophenyl)methoxy]phenyl]spiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,1'-cyclobutane]-6-carboxylate

Drug info:

PubChemData

Smile

CC(CC(=O)O)CN1CCC2=NC(=NC=C2C1)C3=CC=C(C=C3)OCC4=C(C(=CC=C4)Cl)Cl.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations