Geometry & MOs

Info

ID:	333682
PubChem CID:	127252234
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	395.140055
ΔH_f, kcal/mol:	-36.09
Dipole, Da:	9.32
IP(EA), eV:	-8.87(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[5-[(4-chlorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-phenylethanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCC2=CC(=NN2)C3CCN(C3)C(=O)CC4=CC=CC=C4

DOS

IR

Vibrations