Geometry & MOs

Info

ID:	237623
PubChem CID:	92720049
Reduced:	ClO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	399.171355
ΔH_f, kcal/mol:	-60.34
Dipole, Da:	2.88
IP(EA), eV:	-9.12(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@H]2C3=CC=CN3CC(=O)N2C4=CC=C(C=C4)Cl

DOS

IR

Vibrations