Geometry & MOs

Info

ID:	360319
PubChem CID:	127300962
Reduced:	ON4C23H24 (1)
Stoich.:	AB4C23D24 (1)
Weight, g/mol:	360.252526
ΔH_f, kcal/mol:	32.48
Dipole, Da:	6.09
IP(EA), eV:	-8.44(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3=CC4=C(N3)C=CC5=CC=CC=C54

DOS

IR

Vibrations