Geometry & MOs

Info

ID:	175959
PubChem CID:	75974070
Reduced:	FO4N6C25H31 (1)
Stoich.:	AB4C6D25E31 (1)
Weight, g/mol:	384.252526
ΔH_f, kcal/mol:	-124.68
Dipole, Da:	1.34
IP(EA), eV:	-8.92(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,5-dimethylphenyl)methyl]-4-(2-methylpropyl)-3,3a,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione

Drug info:

PubChemData

Smile

CCN1C2C(C(N1)C)N(C(=O)N(C2=O)CC3=CC=CO3)CC(=O)N4CCN(CC4)C5=CC=C(C=C5)F

DOS

IR

Vibrations