Geometry & MOs

Info

ID:	238443
PubChem CID:	92741219
Reduced:	ClN3O3C25H26 (1)
Stoich.:	AB3C3D25E26 (1)
Weight, g/mol:	431.220892
ΔH_f, kcal/mol:	-71.03
Dipole, Da:	3.02
IP(EA), eV:	-8.8(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-cyclopentyl-2-(3,4-dimethylphenyl)-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=O)C3=CC=C(N3C[C@@]2(C)C(=O)NC4CCCC4)C5=CC=CO5)Cl

DOS

IR

Vibrations