Geometry & MOs

Info

ID:	121118
PubChem CID:	50756459
Reduced:	FN3O3C24H26 (1)
Stoich.:	AB3C3D24E26 (1)
Weight, g/mol:	453.181919
ΔH_f, kcal/mol:	-102.31
Dipole, Da:	8.18
IP(EA), eV:	-8.92(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[(2-chlorophenyl)methyl]-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

Drug info:

PubChemData

Smile

CC1(CN2C3=C(C=C2C(=O)N1CC4=CC=C(C=C4)F)OC=C3)C(=O)NC5CCCCC5

DOS

IR

Vibrations