Geometry & MOs

Info

ID:	2060
PubChem CID:	5689
Reduced:	N2O3H26C27 (1)
Stoich.:	A2B3C26D27 (1)
Weight, g/mol:	426.194343
ΔH_f, kcal/mol:	-32.05
Dipole, Da:	6.24
IP(EA), eV:	-8.45(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-naphthalen-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C2=C3N1C(COC3=CC=C2)CN4CCOCC4)C(=O)C5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations