Geometry & MOs

Info

ID:	190234
PubChem CID:	77974115
Reduced:	N5O5C32H43 (1)
Stoich.:	A5B5C32D43 (1)
Weight, g/mol:	380.178773
ΔH_f, kcal/mol:	-213.04
Dipole, Da:	3.55
IP(EA), eV:	-8.63(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-fluoro-2-(1,5,8-trimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)ethenyl]-3-methoxybenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)C)CC(C(=O)N2CCC(CC2)(C)N)OC(=O)N3CCC(CC3)N4CCC5=CC=CC=C5NC4=O

DOS

IR

Vibrations