Geometry & MOs

Info

ID:

41252

PubChem CID:

8145534

Reduced:

FO3N4C22H26 (1)

Stoich.:

AB3C4D22E26 (1)

Weight, g/mol:

364.238888

ΔHf, kcal/mol:

-93.12

Dipole, Da:

4.68

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.757372

Charge, e:

 1

Chem-info

IUPAC name:

[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)C4=CC(=CC=C4)OC

DOS

IR

Vibrations