Geometry & MOs

Info

ID:	64693
PubChem CID:	29203865
Reduced:	N2O5C24H28 (1)
Stoich.:	A2B5C24D28 (1)
Weight, g/mol:	398.175419
ΔH_f, kcal/mol:	-173.34
Dipole, Da:	3.5
IP(EA), eV:	-8.43(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-fluorophenyl)piperazin-1-yl]-(5-nitro-2-pyrrolidin-1-ylphenyl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)[C@@H]2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations