Geometry & MOs

Info

ID:	1939
PubChem CID:	5398
Reduced:	N2O2C11H15 (2)
Stoich.:	A2B2C11D15 (2)
Weight, g/mol:	414.226705
ΔH_f, kcal/mol:	-152.35
Dipole, Da:	1.47
IP(EA), eV:	-9.46(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-benzylidene-1,6,7-trimethyl-3-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1C(=O)NC(C(=O)N(C(=CC2=CC=CC=C2)C(=O)NCC(=O)N1C)C)CC(C)C

DOS

IR

Vibrations