Geometry & MOs

Info

ID:	238409
PubChem CID:	92741057
Reduced:	FN3O3C26H28 (1)
Stoich.:	AB3C3D26E28 (1)
Weight, g/mol:	475.247107
ΔH_f, kcal/mol:	-108.52
Dipole, Da:	7.64
IP(EA), eV:	-8.78(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-cyclohexyl-2-[(2-ethoxyphenyl)methyl]-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)N1CC3=CC=CC=C3F)C4=CC=CO4)C(=O)NC5CCCCC5

DOS

IR

Vibrations