Geometry & MOs

Info

ID:	225156
PubChem CID:	85747716
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	232.122832
ΔH_f, kcal/mol:	-45.41
Dipole, Da:	7.51
IP(EA), eV:	-8.81(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-diethoxyphosphoryl-2-methylhexa-1,5-diene

Drug info:

PubChemData

Smile

C1COC(=O)C1=C2NCCN2CC3=CC=CC=C3

DOS

IR

Vibrations