Geometry & MOs

Info

ID:	217107
PubChem CID:	85087268
Reduced:	PN5O6C10H16 (1)
Stoich.:	AB5C6D10E16 (1)
Weight, g/mol:	337.106256
ΔH_f, kcal/mol:	-249.97
Dipole, Da:	9.17
IP(EA), eV:	-9.82(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-hydroxyphenyl)-4-(3-nitrophenyl)-2-oxopiperidine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=NC2C(=NC(=NC2=O)N)N1COCCCCOP(=O)(O)O

DOS

IR

Vibrations