Geometry & MOs

Info

ID:	137985
PubChem CID:	52295055
Reduced:	ClOSN3H16C17 (1)
Stoich.:	ABCD3E16F17 (1)
Weight, g/mol:	274.204513
ΔH_f, kcal/mol:	28.38
Dipole, Da:	2.75
IP(EA), eV:	-9.04(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1C=CN=C1[C@H](C2=CC=C(C=C2)Cl)NC(=O)CC3=CSC=C3

DOS

IR

Vibrations