Geometry & MOs

Info

ID:	11774
PubChem CID:	120878
Reduced:	Cl2N2O2C21H26 (1)
Stoich.:	A2B2C2D21E26 (1)
Weight, g/mol:	408.137134
ΔH_f, kcal/mol:	-62.34
Dipole, Da:	3.34
IP(EA), eV:	-8.85(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 20-methyl-8,16-diazahexacyclo[10.6.1.19,12.01,9.02,7.016,19]icosa-2,4,6,13-tetraene-10-carboxylate;dihydrochloride

Drug info:

PubChemData

Smile

CC1C23CC(C14C5(C2N(CC5)CC=C3)C6=CC=CC=C6N4)C(=O)OC.Cl.Cl

DOS

IR

Vibrations