Geometry & MOs

Info

ID:

40782

PubChem CID:

8144692

Reduced:

O2N4C12H15 (1)

Stoich.:

A2B4C12D15 (1)

Weight, g/mol:

246.111676

ΔHf, kcal/mol:

-20.23

Dipole, Da:

5.79

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754702

Charge, e:

 0

Chem-info

IUPAC name:

N-methyl-2-[(4-oxo-1H-quinazolin-2-yl)methylamino]acetamide

Drug info:

PubChemData

Smile

CNC(=O)C[NH2+]CC1=NC(=O)C2=CC=CC=C2N1

DOS

IR

Vibrations