Geometry & MOs

Info

ID:	238478
PubChem CID:	92741398
Reduced:	ClN3O3C26H30 (1)
Stoich.:	AB3C3D26E30 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-80.64
Dipole, Da:	2.83
IP(EA), eV:	-8.85(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)[C@@]1(CN2C(=CC=C2C(=O)N1CCC3=CC=C(C=C3)Cl)C4=CC=CO4)C

DOS

IR

Vibrations