Geometry & MOs

Info

ID:	335594
PubChem CID:	127254456
Reduced:	ClON5C22H22 (1)
Stoich.:	ABC5D22E22 (1)
Weight, g/mol:	281.116427
ΔH_f, kcal/mol:	53.03
Dipole, Da:	7.72
IP(EA), eV:	-8.47(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-propan-2-yl-8-oxa-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,12,16-hexaen-9-one

Drug info:

PubChemData

Smile

CC(C)N1C=C(C2=CC=CC=C21)CCNC(=O)C3=C(C=CC(=C3)N4C=NN=C4)Cl

DOS

IR

Vibrations