Geometry & MOs

Info

ID:	423351
PubChem CID:	135119347
Reduced:	ClN3O4C16H16 (1)
Stoich.:	AB3C4D16E16 (1)
Weight, g/mol:	395.189672
ΔH_f, kcal/mol:	-101.84
Dipole, Da:	4.91
IP(EA), eV:	-9.68(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-fluorophenyl)cyclopropyl]-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCN(C1)C2=NOC(=C2C(=O)O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations