Geometry & MOs

Info

ID:	192685
PubChem CID:	78302193
Reduced:	N7O7C40H61 (1)
Stoich.:	A7B7C40D61 (1)
Weight, g/mol:	438.214113
ΔH_f, kcal/mol:	-342.23
Dipole, Da:	8.75
IP(EA), eV:	-9.19(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4-fluorophenyl)-thiophen-2-ylmethoxy]ethyl]-4-(3-phenylpropyl)piperazine

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N)NCC(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=CC=C2)N

DOS

IR

Vibrations