Geometry & MOs

Info

ID:	79186
PubChem CID:	49747293
Reduced:	FN3O3C27H30 (1)
Stoich.:	AB3C3D27E30 (1)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	-66.56
Dipole, Da:	2.06
IP(EA), eV:	-8.22(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-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(CC3)C4=CC=C(C=C4)F)C5=CC=CO5

DOS

IR

Vibrations