Geometry & MOs

Info

ID:	238383
PubChem CID:	92741007
Reduced:	ClN3O3C26H28 (1)
Stoich.:	AB3C3D26E28 (1)
Weight, g/mol:	432.216141
ΔH_f, kcal/mol:	-74.53
Dipole, Da:	5.89
IP(EA), eV:	-8.77(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1(CN2C(=CC=C2C(=O)N1CC3=CC(=CC=C3)Cl)C4=CC=CO4)C(=O)NC5CCCCC5

DOS

IR

Vibrations