Geometry & MOs

Info

ID:	317106
PubChem CID:	126632511
Reduced:	NOH15C23 (1)
Stoich.:	ABC15D23 (1)
Weight, g/mol:	321.115364
ΔH_f, kcal/mol:	69.84
Dipole, Da:	1.46
IP(EA), eV:	-8.1(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

22-methyl-12-oxa-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C1C4=C(C=C3)C5=C(O4)C=CC6=CC=CC=C65

DOS

IR

Vibrations