Geometry & MOs

Info

ID:	425726
PubChem CID:	135127615
Reduced:	ClNO2H14C19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	287.094629
ΔH_f, kcal/mol:	-16.25
Dipole, Da:	5.42
IP(EA), eV:	-8.44(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-oxa-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11,16(21),17-octaen-14-one

Drug info:

PubChemData

Smile

C1CC2=C(C=C1)OC(=O)C3=C2C=CC(=C3)NC4=CC=CC=C4Cl

DOS

IR

Vibrations