Geometry & MOs

Info

ID:	371404
PubChem CID:	127346274
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	399.198048
ΔH_f, kcal/mol:	-86.05
Dipole, Da:	2.9
IP(EA), eV:	-9.14(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-oxo-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)propyl]sulfanylmethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCC1=C(N=CO1)C(=O)N2CC3(CC2CC(C3)(C)C)C

DOS

IR

Vibrations