Geometry & MOs

Info

ID:	416332
PubChem CID:	135089345
Reduced:	FNO4C22H24 (1)
Stoich.:	ABC4D22E24 (1)
Weight, g/mol:	363.179421
ΔH_f, kcal/mol:	-192.82
Dipole, Da:	3.05
IP(EA), eV:	-9.7(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-2-oxoethyl]urea

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3F)C(=O)O

DOS

IR

Vibrations