Geometry & MOs

Info

ID:	183995
PubChem CID:	77100899
Reduced:	N2O2C13H24 (1)
Stoich.:	A2B2C13D24 (1)
Weight, g/mol:	276.093249
ΔH_f, kcal/mol:	-94.34
Dipole, Da:	5.86
IP(EA), eV:	-8.44(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-hydroxy-2-methylpropyl)sulfanylmethyl]-8-methylidenequinazolin-4-one

Drug info:

PubChemData

Smile

CCC(=CCN1CCN(C(C1)(C)C)C)C(=O)O

DOS

IR

Vibrations