Geometry & MOs

Info

ID:	168178
PubChem CID:	74933208
Reduced:	N3O4C26H27 (1)
Stoich.:	A3B4C26D27 (1)
Weight, g/mol:	499.171891
ΔH_f, kcal/mol:	-118.16
Dipole, Da:	7.11
IP(EA), eV:	-9.22(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-benzyl-9-ethyl-4-methyl-11-[4-(trifluoromethyl)benzoyl]-4,9,11-triazatricyclo[5.3.1.02,6]undecane-3,5,8-trione

Drug info:

PubChemData

Smile

CCN1CC2C3C(C(=O)N(C3=O)C)C(C1=O)(N2C(=O)C4=CC=C(C=C4)C)CC5=CC=CC=C5

DOS

IR

Vibrations