Geometry & MOs

Info

ID:	306452
PubChem CID:	125011773
Reduced:	SN2O2C17H20 (1)
Stoich.:	AB2C2D17E20 (1)
Weight, g/mol:	372.198383
ΔH_f, kcal/mol:	-31.77
Dipole, Da:	4.87
IP(EA), eV:	-8.91(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-[(2R)-2-[6-[2-(2-methylpropyl)-1,3-thiazol-5-yl]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1[C@H]2CNCCN2C(=O)CC3=CSC=C3

DOS

IR

Vibrations