Geometry & MOs

Info

ID:	237622
PubChem CID:	92720045
Reduced:	N3O4C25H33 (1)
Stoich.:	A3B4C25D33 (1)
Weight, g/mol:	399.171355
ΔH_f, kcal/mol:	-142.14
Dipole, Da:	2.36
IP(EA), eV:	-8.66(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-(4-chlorophenyl)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)OCC)N2[C@@H](C3=CC=CN3CC2=O)C(=O)N[C@@H]4CCCC[C@@H]4C

DOS

IR

Vibrations