Geometry & MOs

Info

ID:	172452
PubChem CID:	75512132
Reduced:	OSN4C14H20 (1)
Stoich.:	ABC4D14E20 (1)
Weight, g/mol:	313.153875
ΔH_f, kcal/mol:	8.9
Dipole, Da:	3.0
IP(EA), eV:	-8.49(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[3-methyl-2-(5-methyl-1H-imidazol-4-yl)-4-oxo-2H-quinazolin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1C(SCCN1CCN2C(=O)N3C=CC=CC3=N2)C

DOS

IR

Vibrations