Geometry & MOs

Info

ID:	360339
PubChem CID:	127300982
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	394.182733
ΔH_f, kcal/mol:	-33.66
Dipole, Da:	5.91
IP(EA), eV:	-8.81(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-benzyl-4-methyl-1,3-thiazol-5-yl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CC1C(=O)NC2=CC=CC(=C2)C(=O)N3CCCC3C4=C(N(N=C4C)C)C

DOS

IR

Vibrations