Geometry & MOs

Info

ID:	354110
PubChem CID:	127286041
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	51.13
Dipole, Da:	7.84
IP(EA), eV:	-8.95(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Drug info:

PubChemData

Smile

C1CC(N(C1)CCC2=NN=NN2C3=CC=CC=C3)CO

DOS

IR

Vibrations