Geometry & MOs

Info

ID:	238441
PubChem CID:	92741214
Reduced:	N3O3C27H31 (1)
Stoich.:	A3B3C27D31 (1)
Weight, g/mol:	417.205242
ΔH_f, kcal/mol:	-64.46
Dipole, Da:	5.37
IP(EA), eV:	-8.72(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1(CN2C(=CC=C2C(=O)N1CCCC3=CC=CC=C3)C4=CC=CO4)C(=O)NC5CCCC5

DOS

IR

Vibrations