Geometry & MOs

Info

ID:	360332
PubChem CID:	127300975
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	382.157581
ΔH_f, kcal/mol:	-88.48
Dipole, Da:	1.81
IP(EA), eV:	-8.41(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3=CC(=C(C=C3)OC4CCCC4)OC

DOS

IR

Vibrations