Geometry & MOs

Info

ID:	168177
PubChem CID:	74933179
Reduced:	Cl2N3O4H23C25 (1)
Stoich.:	A2B3C4D23E25 (1)
Weight, g/mol:	445.200156
ΔH_f, kcal/mol:	-123.92
Dipole, Da:	4.51
IP(EA), eV:	-9.8(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC12C3C(C(N1C(=O)C4=CC(=C(C=C4)Cl)Cl)CN(C2=O)C)C(=O)N(C3=O)CC5=CC=CC=C5

DOS

IR

Vibrations