Geometry & MOs

Info

ID:	238425
PubChem CID:	92741133
Reduced:	N3O3C25H35 (1)
Stoich.:	A3B3C25D35 (1)
Weight, g/mol:	425.267842
ΔH_f, kcal/mol:	-116.86
Dipole, Da:	2.85
IP(EA), eV:	-8.68(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-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)N2CCC(C)C)C4=CC=CO4)C

DOS

IR

Vibrations