Geometry & MOs

Info

ID:	238408
PubChem CID:	92741054
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	449.21147
ΔH_f, kcal/mol:	-105.21
Dipole, Da:	3.63
IP(EA), eV:	-8.65(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=CC=C(N2C[C@@]1(C)C(=O)NC3CCCCC3)C4=CC=CO4

DOS

IR

Vibrations