Geometry & MOs

Info

ID:	238388
PubChem CID:	92741016
Reduced:	ClN3O3C27H30 (1)
Stoich.:	AB3C3D27E30 (1)
Weight, g/mol:	479.197569
ΔH_f, kcal/mol:	-79.94
Dipole, Da:	3.62
IP(EA), eV:	-8.85(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-2-[2-(4-chlorophenyl)ethyl]-N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(CN2C(=CC=C2C(=O)N1CCC3=CC=C(C=C3)Cl)C4=CC=CO4)C(=O)NC5CCCCC5

DOS

IR

Vibrations