Geometry & MOs

Info

ID:	149160
PubChem CID:	53788832
Reduced:	Cl2O2N4H14C21 (1)
Stoich.:	A2B2C4D14E21 (1)
Weight, g/mol:	394.323566
ΔH_f, kcal/mol:	18.58
Dipole, Da:	5.94
IP(EA), eV:	-8.83(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-4-(pent-3-enoxymethyl)benzene

Drug info:

PubChemData

Smile

CC1=C(N2C=CC=C(C2=N1)NC(=O)C3=C(C=CC=C3Cl)Cl)C(=O)C4=CC=CC=N4

DOS

IR

Vibrations