Geometry & MOs

Info

ID:	360306
PubChem CID:	127300949
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	394.182733
ΔH_f, kcal/mol:	-73.18
Dipole, Da:	5.45
IP(EA), eV:	-8.92(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCCC3C4=C(N(N=C4C)C)C

DOS

IR

Vibrations