Geometry & MOs

Info

ID:	130825
PubChem CID:	51115087
Reduced:	FN2O4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-176.82
Dipole, Da:	7.22
IP(EA), eV:	-9.32(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]benzonitrile

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)N2CCC(CC2)NC(=O)C3=CC=CC=C3F)O

DOS

IR

Vibrations