Geometry & MOs

Info

ID:	360282
PubChem CID:	127300925
Reduced:	O3N5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	378.208947
ΔH_f, kcal/mol:	-82.38
Dipole, Da:	10.09
IP(EA), eV:	-9.17(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]sulfanyl-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)CN3C4=CC=CC=C4C(=O)NC3=O

DOS

IR

Vibrations