Geometry & MOs

Info

ID:	238421
PubChem CID:	92741099
Reduced:	N3O3C25H33 (1)
Stoich.:	A3B3C25D33 (1)
Weight, g/mol:	494.325691
ΔH_f, kcal/mol:	-101.4
Dipole, Da:	5.71
IP(EA), eV:	-8.6(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-cyclohexyl-2-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-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)N1C3CCCCC3)C4=CC=CO4)C(=O)NC5CCCCC5

DOS

IR

Vibrations