Geometry & MOs

Info

ID:	333707
PubChem CID:	127252259
Reduced:	O3N4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	382.119654
ΔH_f, kcal/mol:	-17.12
Dipole, Da:	9.22
IP(EA), eV:	-8.89(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCC2=CC(=NN2)C3CCN(C3)C(=O)C4=CN=CC=C4

DOS

IR

Vibrations