Geometry & MOs

Info

ID:	121034
PubChem CID:	50753848
Reduced:	O2N6C27H28 (1)
Stoich.:	A2B6C27D28 (1)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	31.87
Dipole, Da:	4.66
IP(EA), eV:	-8.36(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(4-methylphenyl)-8-(2-oxo-2-piperidin-1-ylethyl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CN3C4=C(CCC4)C(=O)N5C3=NC(=N5)C6=CC=CC=C6

DOS

IR

Vibrations