Geometry & MOs

Info

ID:	360280
PubChem CID:	127300923
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	394.182733
ΔH_f, kcal/mol:	-57.69
Dipole, Da:	4.31
IP(EA), eV:	-8.81(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-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)CCC2)C(=O)N3CCCC3C4=C(N(N=C4C)C)C

DOS

IR

Vibrations