Geometry & MOs

Info

ID:	40595
PubChem CID:	8144393
Reduced:	NO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	317.197751
ΔH_f, kcal/mol:	-1.17
Dipole, Da:	3.67
IP(EA), eV:	-8.98(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]azanium

Drug info:

PubChemData

Smile

CO/C=C/[C@H]1CC(=NO1)C2=CC=CC=C2

DOS

IR

Vibrations