Geometry & MOs

Info

ID:	186638
PubChem CID:	77458826
Reduced:	NC12H17 (1)
Stoich.:	AB12C17 (1)
Weight, g/mol:	508.243418
ΔH_f, kcal/mol:	19.07
Dipole, Da:	1.63
IP(EA), eV:	-9.56(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-3-[[4-[4-(3-methylimidazole-4-carbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CCC=CC(CC)C1=CC=CC=N1

DOS

IR

Vibrations