Geometry & MOs

Info

ID:	216605
PubChem CID:	85086489
Reduced:	NO6C13H19 (1)
Stoich.:	AB6C13D19 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	-252.28
Dipole, Da:	4.75
IP(EA), eV:	-10.33(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-5-pyridin-4-ylsulfanyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CC1(OCC2(O1)C3C(C4C2OC(O4)(C)C)OC(=O)N3)C

DOS

IR

Vibrations