Geometry & MOs

Info

ID:	217404
PubChem CID:	85087766
Reduced:	N2O2C9H12 (2)
Stoich.:	A2B2C9D12 (2)
Weight, g/mol:	360.206561
ΔH_f, kcal/mol:	-133.9
Dipole, Da:	5.72
IP(EA), eV:	-9.54(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-diethoxyphosphoryl-2-(5-methyl-2-prop-1-en-2-ylcyclohexyl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NNC(=N1)C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations