Geometry & MOs

Info

ID:

194700

PubChem CID:

78577663

Reduced:

OCl2N5C22H22 (1)

Stoich.:

AB2C5D22E22 (1)

Weight, g/mol:

438.145868

ΔHf, kcal/mol:

26.45

Dipole, Da:

6.17

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.769350

Charge, e:

 2

Chem-info

IUPAC name:

5-(4-chlorophenyl)-2,4-dihydroxy-1,3,7-trimethyl-N-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-1,3-diium-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)[N+]2=C(N1)NC(=NC2C3=CC=C(C=C3)C(C)C)NC4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations