Geometry & MOs

Info

ID:	439200
PubChem CID:	135228965
Reduced:	PO4C12H23 (1)
Stoich.:	AB4C12D23 (1)
Weight, g/mol:	399.330129
ΔH_f, kcal/mol:	-253.85
Dipole, Da:	3.46
IP(EA), eV:	-9.14(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[7-(4-butyl-4-methylcyclohexyl)-4-fluoro-5-methyl-5,6,7,8,9,10a-hexahydro-4aH-benzo[8]annulen-10-ylidene]methyl]ethanimine

Drug info:

PubChemData

Smile

CC=C1CCC(CC1)C(CP(=O)(OC)OC)O

DOS

IR

Vibrations