Geometry & MOs

Info

ID:	330119
PubChem CID:	127247106
Reduced:	N3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	-59.67
Dipole, Da:	4.96
IP(EA), eV:	-9.32(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC=NN2)CC3=CC=C(C=C3)OCC(=O)O

DOS

IR

Vibrations