Geometry & MOs

Info

ID:	330152
PubChem CID:	127247139
Reduced:	ON3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	-2.69
Dipole, Da:	6.69
IP(EA), eV:	-9.1(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)N2CCC(C2)C3=C(C=NN3)C

DOS

IR

Vibrations