Geometry & MOs

Info

ID:	141916
PubChem CID:	52951916
Reduced:	N3O3C7H13 (1)
Stoich.:	A3B3C7D13 (1)
Weight, g/mol:	361.167794
ΔH_f, kcal/mol:	-47.2
Dipole, Da:	8.81
IP(EA), eV:	-9.43(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1'-benzylspiro[chromene-2,4'-piperidine]-6-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

COCCN\1CCN/C1=C\[N+](=O)[O-]

DOS

IR

Vibrations