Geometry & MOs

Info

ID:	132713
PubChem CID:	51405812
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	309.205242
ΔH_f, kcal/mol:	-83.18
Dipole, Da:	1.52
IP(EA), eV:	-9.09(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-hydroxy-6-methoxy-8,12,18-triazatetracyclo[8.8.0.02,7.012,17]octadecan-11-one

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(NC(=O)C[C@@H]2C3CCCC(C3)OC)N4C1=NC5=CC=CC=C54

DOS

IR

Vibrations