Geometry & MOs

Info

ID:	160359
PubChem CID:	57309707
Reduced:	N4H26C33 (1)
Stoich.:	A4B26C33 (1)
Weight, g/mol:	754.626397
ΔH_f, kcal/mol:	242.11
Dipole, Da:	3.89
IP(EA), eV:	-9.48(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(4-butylcyclohexyl)cyclohexyl]-[[4-(4-butylcyclohexyl)cyclohexyl]-(4-propoxyphenyl)methoxy]methyl]-4-propoxybenzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CC=CC=C2)C3(N=NN=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations