Geometry & MOs

Info

ID:	322219
PubChem CID:	126669242
Reduced:	O2N4H12C17 (1)
Stoich.:	A2B4C12D17 (1)
Weight, g/mol:	348.206485
ΔH_f, kcal/mol:	59.0
Dipole, Da:	5.15
IP(EA), eV:	-8.63(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4Z)-3-cyclopentyl-2-methyl-6-methylideneocta-2,4-dien-4-yl]-4-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C3=CN=C4N3C=C(C=C4)C5=CNN=C5

DOS

IR

Vibrations