Geometry & MOs

Info

ID:	45603
PubChem CID:	10515454
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	260.117746
ΔH_f, kcal/mol:	-25.82
Dipole, Da:	1.76
IP(EA), eV:	-9.28(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-7-dimethoxyphosphoryl-2-ethoxy-6-methylhepta-1,3,5-triene

Drug info:

PubChemData

Smile

C1CCC(CC1)N=C(N)NC(=O)CC2=CC=CC=C2

DOS

IR

Vibrations