Geometry & MOs

Info

ID:	224788
PubChem CID:	85354125
Reduced:	O5C6H11 (2)
Stoich.:	A5B6C11 (2)
Weight, g/mol:	413.30825
ΔH_f, kcal/mol:	-460.79
Dipole, Da:	4.41
IP(EA), eV:	-10.48(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-benzylidene-2-(cyclohexen-1-yl)dec-1-en-4-amine

Drug info:

PubChemData

Smile

CC(C1C(C(C(O1)OC2C(C(OC(C2O)O)CO)O)O)O)O

DOS

IR

Vibrations