Geometry & MOs

Info

ID:	333681
PubChem CID:	127252233
Reduced:	ClN3O3C23H24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-49.05
Dipole, Da:	1.32
IP(EA), eV:	-9.27(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-phenylethanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CC2=CC=CC=C2)C3=NNC(=C3)CCOC4=CC(=CC=C4)Cl

DOS

IR

Vibrations