Geometry & MOs

Info

ID:	330103
PubChem CID:	127247090
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	287.17461
ΔH_f, kcal/mol:	-26.26
Dipole, Da:	3.04
IP(EA), eV:	-8.93(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,5-dimethylpyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC=NN2)CC3=CC(=CC=C3)OCCO

DOS

IR

Vibrations