Geometry & MOs

Info

ID:	282668
PubChem CID:	103935456
Reduced:	NOC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	220.121178
ΔH_f, kcal/mol:	-74.94
Dipole, Da:	3.62
IP(EA), eV:	-8.63(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-hydroxypropyl]-3-methyl-4H-quinazolin-2-one

Drug info:

PubChemData

Smile

C[C@@H](CN1C2=CC=CC=C2CN(C1=O)C)O

DOS

IR

Vibrations