Geometry & MOs

Info

ID:	175960
PubChem CID:	75974113
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	388.227454
ΔH_f, kcal/mol:	-81.67
Dipole, Da:	1.69
IP(EA), eV:	-8.94(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CN2C(=O)N3C4CCCCC4C(=O)N(C3N2)CC(C)C

DOS

IR

Vibrations