Geometry & MOs

Info

ID:	360302
PubChem CID:	127300945
Reduced:	ON4C23H28 (1)
Stoich.:	AB4C23D28 (1)
Weight, g/mol:	387.263425
ΔH_f, kcal/mol:	-1.05
Dipole, Da:	5.92
IP(EA), eV:	-8.24(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3=CC=CC4=C3NC5=C4CCCC5

DOS

IR

Vibrations