Geometry & MOs

Info

ID:	337934
PubChem CID:	127258557
Reduced:	N2O2C17H24 (1)
Stoich.:	A2B2C17D24 (1)
Weight, g/mol:	426.123225
ΔH_f, kcal/mol:	-59.18
Dipole, Da:	5.41
IP(EA), eV:	-9.37(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-diphenoxyphosphoryloxyphenyl)methyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCCC(C)N(CC#N)CC1=CC=CC=C1

DOS

IR

Vibrations