Geometry & MOs

Info

ID:	238424
PubChem CID:	92741116
Reduced:	ClN3O3C27H30 (1)
Stoich.:	AB3C3D27E30 (1)
Weight, g/mol:	425.267842
ΔH_f, kcal/mol:	-79.69
Dipole, Da:	1.07
IP(EA), eV:	-8.77(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)[C@@]2(CN3C(=CC=C3C(=O)N2CC4=CC(=CC=C4)Cl)C5=CC=CO5)C

DOS

IR

Vibrations