Geometry & MOs

Info

ID:	79185
PubChem CID:	49747291
Reduced:	N3O5C30H37 (1)
Stoich.:	A3B5C30D37 (1)
Weight, g/mol:	463.22712
ΔH_f, kcal/mol:	-123.62
Dipole, Da:	3.49
IP(EA), eV:	-8.59(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)C(CNC(=O)C3(CCOCC3)C4=CC=CC=C4OC)C5=CC=CO5

DOS

IR

Vibrations