Geometry & MOs

Info

ID:	439359
PubChem CID:	135229131
Reduced:	N5O11C55H57 (1)
Stoich.:	A5B11C55D57 (1)
Weight, g/mol:	165.15175
ΔH_f, kcal/mol:	-236.77
Dipole, Da:	12.66
IP(EA), eV:	-8.01(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,6Z)-N,3-dimethyl-5-methylideneocta-3,6-dien-4-amine

Drug info:

PubChemData

Smile

COCCOCCOCCNC1=CC(=CC(=C1)COC2=C(C=C3C(=C2)N=C[C@@H]4CC(=CN4C3=O)C5=CC=C(C=C5)OC)OC)COC6=C(C=C7C(=C6)N=C[C@@H]8CC(=CN8C7=O)C9=CC=C(C=C9)OC)OC

DOS

IR

Vibrations