Geometry & MOs

Info

ID:	80744
PubChem CID:	49836637
Reduced:	NO3C24H25 (1)
Stoich.:	AB3C24D25 (1)
Weight, g/mol:	377.199094
ΔH_f, kcal/mol:	-61.82
Dipole, Da:	3.71
IP(EA), eV:	-8.9(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-spiro[6H-benzo[b][1]benzoxepine-5,3'-cyclopentane]-1'-ylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2(CC1N3CCC(=CC3)C(=O)O)CC4=CC=CC=C4OC5=CC=CC=C25

DOS

IR

Vibrations