Geometry & MOs

Info

ID:	43943
PubChem CID:	10322257
Reduced:	O2N3C30H31 (1)
Stoich.:	A2B3C30D31 (1)
Weight, g/mol:	465.279156
ΔH_f, kcal/mol:	-6.57
Dipole, Da:	5.39
IP(EA), eV:	-8.09(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-cyclohexyl-4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-1-hydroxybutan-2-yl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCCCCNC3=C4C=CC=CC4=NC5=CC=CC=C53

DOS

IR

Vibrations