Geometry & MOs

Info

ID:	395787
PubChem CID:	135026534
Reduced:	N2O11C26H32 (1)
Stoich.:	A2B11C26D32 (1)
Weight, g/mol:	260.116092
ΔH_f, kcal/mol:	-428.96
Dipole, Da:	2.92
IP(EA), eV:	-9.46(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9S)-7-(hydroxymethyl)-4-methyl-2-oxa-5,13-diazatetracyclo[7.3.3.01,10.03,8]pentadeca-3(8),4,6-trien-14-one

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)O/C(=C\C2NCCN2)/C(=O)C3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations