Geometry & MOs

Info

ID:	355397
PubChem CID:	127288460
Reduced:	ON2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	343.225977
ΔH_f, kcal/mol:	-87.2
Dipole, Da:	6.63
IP(EA), eV:	-8.91(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]bicyclo[3.3.1]nonan-9-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3CCCN(C3)C(=O)C

DOS

IR

Vibrations