Geometry & MOs

Info

ID:	171648
PubChem CID:	75410026
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	428.173607
ΔH_f, kcal/mol:	-97.7
Dipole, Da:	5.28
IP(EA), eV:	-9.13(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,11S)-9-benzyl-12-(2-phenoxyacetyl)-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one

Drug info:

PubChemData

Smile

COCC(=O)N1C[C@@H]2C[C@H]1C(=O)N(C3=CC=CC=C3O2)CC4=CC=CC=C4

DOS

IR

Vibrations