Geometry & MOs

Info

ID:	238453
PubChem CID:	92741243
Reduced:	N3O5C25H25 (1)
Stoich.:	A3B5C25D25 (1)
Weight, g/mol:	435.19582
ΔH_f, kcal/mol:	-114.96
Dipole, Da:	2.35
IP(EA), eV:	-8.79(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-cyclopentyl-2-[(4-fluorophenyl)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)N1C3=CC4=C(C=C3)OCO4)C5=CC=CO5)C(=O)NC6CCCC6

DOS

IR

Vibrations