Geometry & MOs

Info

ID:	172752
PubChem CID:	75547914
Reduced:	ClO3N5C23H30 (1)
Stoich.:	AB3C5D23E30 (1)
Weight, g/mol:	469.268905
ΔH_f, kcal/mol:	-106.7
Dipole, Da:	9.37
IP(EA), eV:	-9.33(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-1,5-dioxo-2-phenacyl-4-propan-2-yl-3,3a,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CN1C2NN(C(=O)N2C3CC(CCC3C1=O)C(=O)NC4CCCC4)CC5=CC=CC=C5Cl

DOS

IR

Vibrations