Geometry & MOs

Info

ID:	121127
PubChem CID:	50756744
Reduced:	ClN3O3C25H28 (1)
Stoich.:	AB3C3D25E28 (1)
Weight, g/mol:	463.247107
ΔH_f, kcal/mol:	-71.52
Dipole, Da:	2.05
IP(EA), eV:	-8.92(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[(4-ethoxyphenyl)methyl]-11-methyl-N-(2-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

CC1CCCCC1NC(=O)C2(CN3C4=C(C=C3C(=O)N2CC5=CC=CC=C5Cl)OC=C4)C

DOS

IR

Vibrations