Geometry & MOs

Info

ID:	80742
PubChem CID:	49836635
Reduced:	NO2C24H25 (1)
Stoich.:	AB2C24D25 (1)
Weight, g/mol:	375.183444
ΔH_f, kcal/mol:	-17.59
Dipole, Da:	4.42
IP(EA), eV:	-9.06(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-spiro[6H-benzo[b][1]benzoxepine-5,3'-cyclopentane]-1'-yl-3,6-dihydro-2H-pyridine-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2(CC1N3CC(=CC(=O)O)C3)CC4=CC=CC=C4CC5=CC=CC=C25

DOS

IR

Vibrations