Geometry & MOs

Info

ID:	237624
PubChem CID:	92720050
Reduced:	ClO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-61.34
Dipole, Da:	3.83
IP(EA), eV:	-9.15(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-ethoxyphenyl)-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