Geometry & MOs

Info

ID:	136756
PubChem CID:	52094818
Reduced:	ClN2O2H15C18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	360.158626
ΔH_f, kcal/mol:	-23.01
Dipole, Da:	6.21
IP(EA), eV:	-9.2(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-14-methyl-2,4,6,18-tetrazatetracyclo[8.8.0.03,8.012,17]octadeca-1(10),3,8,11,13,15,17-heptaene-5,7-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C3C=CC(=CC3=NC=C2)Cl)OC

DOS

IR

Vibrations