Geometry & MOs

Info

ID:	333615
PubChem CID:	127252167
Reduced:	O3N4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	366.149204
ΔH_f, kcal/mol:	-6.62
Dipole, Da:	4.71
IP(EA), eV:	-9.76(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone

Drug info:

PubChemData

Smile

CNC(=O)C1(CCN(C1)C(=O)C2=CC=NC=C2)CC3=CC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations