Geometry & MOs

Info

ID:	282667
PubChem CID:	103935344
Reduced:	NOC4H6 (2)
Stoich.:	ABC4D6 (2)
Weight, g/mol:	220.121178
ΔH_f, kcal/mol:	-79.28
Dipole, Da:	2.12
IP(EA), eV:	-9.82(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C=N1)C[C@@H](C)O

DOS

IR

Vibrations