Geometry & MOs

Info

ID:	40596
PubChem CID:	8144396
Reduced:	O2N4C17H25 (1)
Stoich.:	A2B4C17D25 (1)
Weight, g/mol:	316.189926
ΔH_f, kcal/mol:	-55.25
Dipole, Da:	7.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754855
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[methyl-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]amino]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+](C)CC(=O)NC(C)(C)C

DOS

IR

Vibrations