Geometry & MOs

Info

ID:	80743
PubChem CID:	49836636
Reduced:	NO3C24H25 (1)
Stoich.:	AB3C24D25 (1)
Weight, g/mol:	375.183444
ΔH_f, kcal/mol:	-65.56
Dipole, Da:	4.0
IP(EA), eV:	-8.91(-0.18)
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-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CC(=C1)C(=O)O)C2CCC3(C2)CC4=CC=CC=C4OC5=CC=CC=C35

DOS

IR

Vibrations