Geometry & MOs

Info

ID:	224646
PubChem CID:	85345584
Reduced:	O2C21H22 (1)
Stoich.:	A2B21C22 (1)
Weight, g/mol:	307.154784
ΔH_f, kcal/mol:	-26.66
Dipole, Da:	1.98
IP(EA), eV:	-9.15(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethyl-N-[2-(trifluoromethyl)phenyl]bicyclo[3.3.1]non-6-en-3-imine

Drug info:

PubChemData

Smile

CCCCOC(=O)C(=CC1=CC=CC=C1)C=CC2=CC=CC=C2

DOS

IR

Vibrations