Geometry & MOs

Info

ID:	185795
PubChem CID:	77348936
Reduced:	N3O3C12H16 (2)
Stoich.:	A3B3C12D16 (2)
Weight, g/mol:	511.319878
ΔH_f, kcal/mol:	-224.79
Dipole, Da:	1.94
IP(EA), eV:	-8.75(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4-cyclohexylphenyl)methyl]piperazin-1-yl]-3-[2-(2-pyridin-4-ylethenyl)phenoxy]propan-2-ol

Drug info:

PubChemData

Smile

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)OCCC2CNC3=NC(=NC(=C23)N)N

DOS

IR

Vibrations