Geometry & MOs

Info

ID:	393058
PubChem CID:	135019174
Reduced:	ClO5C9H19 (1)
Stoich.:	AB5C9D19 (1)
Weight, g/mol:	421.167794
ΔH_f, kcal/mol:	-253.72
Dipole, Da:	2.74
IP(EA), eV:	-10.25(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethoxy-14-phenyl-11-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),3,5,7,13,15,17,19-octaen-12-one

Drug info:

PubChemData

Smile

COCO[C@@H](CCCO)[C@@H]([C@H](CCl)O)O

DOS

IR

Vibrations