Geometry & MOs

Info

ID:	330149
PubChem CID:	127247136
Reduced:	ON2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	276.195011
ΔH_f, kcal/mol:	-66.43
Dipole, Da:	2.61
IP(EA), eV:	-9.11(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)C(=O)CN3CCCC3=O

DOS

IR

Vibrations