Geometry & MOs

Info

ID:	445739
PubChem CID:	135269243
Reduced:	FN5C21H26 (1)
Stoich.:	AB5C21D26 (1)
Weight, g/mol:	360.208075
ΔH_f, kcal/mol:	58.1
Dipole, Da:	4.2
IP(EA), eV:	-8.19(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chlorophenyl)methyl]-1-methyl-3-(2-methylbutan-2-yl)-5,6,8-trimethylidene-1,2,4,7-tetrazocane

Drug info:

PubChemData

Smile

C/C=C\C(=C/N=CCN1C(=C(N=C1C2=CC(=CC=C2)F)NC)C(=C)NC)\C

DOS

IR

Vibrations