Geometry & MOs

Info

ID:	41891
PubChem CID:	8147666
Reduced:	ON3C19H22 (1)
Stoich.:	AB3C19D22 (1)
Weight, g/mol:	308.176287
ΔH_f, kcal/mol:	29.24
Dipole, Da:	7.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769474
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-2-methyl-1-phenylpropyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=CC=CC=C1)[NH2+]CC2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations