Geometry & MOs

Info

ID:	238452
PubChem CID:	92741241
Reduced:	N3O4C26H29 (1)
Stoich.:	A3B4C26D29 (1)
Weight, g/mol:	447.179421
ΔH_f, kcal/mol:	-99.57
Dipole, Da:	1.06
IP(EA), eV:	-8.76(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-(1,3-benzodioxol-5-yl)-N-cyclopentyl-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=C3)OC)C4=CC=CO4)C(=O)NC5CCCC5

DOS

IR

Vibrations