Geometry & MOs

Info

ID:	40563
PubChem CID:	8144335
Reduced:	NOC6H8 (3)
Stoich.:	ABC6D8 (3)
Weight, g/mol:	337.143129
ΔH_f, kcal/mol:	-86.53
Dipole, Da:	4.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757128
Charge, e:	1

Chem-info

IUPAC name:

[2-(tert-butylamino)-2-oxoethyl]-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-methylazanium

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)C[NH+]2CCOCC2)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations