Geometry & MOs

Info

ID:	432606
PubChem CID:	135172742
Reduced:	N3O3C25H31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	302.151809
ΔH_f, kcal/mol:	-83.1
Dipole, Da:	4.13
IP(EA), eV:	-9.16(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethoxy-5-(3-tricyclo[3.3.1.03,7]nonanyl)benzoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)OCC(=O)N2CCC(CC2)C(=O)CC3C4=CC=CC=C4C5=CN=CN35

DOS

IR

Vibrations