Geometry & MOs

Info

ID:	186105
PubChem CID:	77390776
Reduced:	N3O6C26H33 (1)
Stoich.:	A3B6C26D33 (1)
Weight, g/mol:	542.224867
ΔH_f, kcal/mol:	-210.35
Dipole, Da:	3.35
IP(EA), eV:	-9.23(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chlorophenyl)-5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]pyrazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CCOC(=O)C1CC(NN1)C(=O)N(CCC(C(=O)OCC)O)CC2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations