Geometry & MOs

Info

ID:	238438
PubChem CID:	92741194
Reduced:	ClN3O3C25H26 (1)
Stoich.:	AB3C3D25E26 (1)
Weight, g/mol:	421.18017
ΔH_f, kcal/mol:	-67.08
Dipole, Da:	6.22
IP(EA), eV:	-8.78(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-cyclopentyl-2-(4-fluorophenyl)-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=C(C=C3)Cl)C4=CC=CO4)C(=O)NC5CCCC5

DOS

IR

Vibrations