Geometry & MOs

Info

ID:	168176
PubChem CID:	74932786
Reduced:	NO4C13H25 (1)
Stoich.:	AB4C13D25 (1)
Weight, g/mol:	499.106562
ΔH_f, kcal/mol:	-214.3
Dipole, Da:	3.74
IP(EA), eV:	-9.91(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCN1CC(C(C(C1=O)O)O)O

DOS

IR

Vibrations