Geometry & MOs

Info

ID:

88710

PubChem CID:

49956222

Reduced:

ClOSN2C15H22 (1)

Stoich.:

ABCD2E15F22 (1)

Weight, g/mol:

360.90103

ΔHf, kcal/mol:

2.69

Dipole, Da:

1.72

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.907757

Charge, e:

 -1

Chem-info

IUPAC name:

3-(3-bromo-2-oxopropyl)quinazolin-4-one;bromide

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)C2=CSC3=C2CCNC3.[Cl-]

DOS

IR

Vibrations