Geometry & MOs

Info

ID:	238481
PubChem CID:	92741417
Reduced:	NOC9H11 (3)
Stoich.:	ABC9D11 (3)
Weight, g/mol:	445.236542
ΔH_f, kcal/mol:	-73.17
Dipole, Da:	4.94
IP(EA), eV:	-8.73(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](CN1C(=O)C2=CC=C(N2C[C@]1(C)C(=O)NCCC(C)C)C3=CC=CO3)C4=CC=CC=C4

DOS

IR

Vibrations