Geometry & MOs

Info

ID:	45963
PubChem CID:	10519804
Reduced:	NO3H19C20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	321.266779
ΔH_f, kcal/mol:	-58.64
Dipole, Da:	3.4
IP(EA), eV:	-9.24(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E)-3,7,11-trimethyl-N-(oxan-2-yloxy)dodeca-2,6,10-trien-1-amine

Drug info:

PubChemData

Smile

C[C@@H]1[C@@]2(C(=O)N(C(=O)[C@]1(O2)C3=CC=CC=C3)C4=CC=CC=C4C)C

DOS

IR

Vibrations