Geometry & MOs

Info

ID:	392710
PubChem CID:	135017714
Reduced:	IH25C28 (1)
Stoich.:	AB25C28 (1)
Weight, g/mol:	367.139528
ΔH_f, kcal/mol:	78.81
Dipole, Da:	2.34
IP(EA), eV:	-8.7(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)-4-azabicyclo[5.2.0]nona-1,7-diene-3-carboxylate

Drug info:

PubChemData

Smile

C1CCCC2=C(C3=CC=CC=C3C(=C2CC1)C4=CC=CC=C4)C5=CC=C(C=C5)I

DOS

IR

Vibrations