Geometry & MOs

Info

ID:	315718
PubChem CID:	126628614
Reduced:	N3O4C16H29 (1)
Stoich.:	A3B4C16D29 (1)
Weight, g/mol:	567.256326
ΔH_f, kcal/mol:	-201.66
Dipole, Da:	3.46
IP(EA), eV:	-9.55(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[[[4-[1-(4-cyanophenyl)piperidin-4-yl]oxy-3-fluorophenyl]-methylphosphanylmethylidene]amino]piperidin-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCC[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H](N1)C(=O)O

DOS

IR

Vibrations