Geometry & MOs

Info

ID:

420781

PubChem CID:

135114805

Reduced:

FO6N7C35H38 (1)

Stoich.:

AB6C7D35E38 (1)

Weight, g/mol:

340.201159

ΔHf, kcal/mol:

-133.41

Dipole, Da:

6.4

IP(EA), eV:

 -9.48(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N2CCCCNC(=O)[C@@H]3C[C@@H](CN3C(=O)CCC4=NC(=NO4)C5=CC=CC=C5F)N(CCC2)C(=O)C6=CC=CC=C6

DOS

IR

Vibrations