Geometry & MOs

Info

ID:	424187
PubChem CID:	135121694
Reduced:	NPO5C18H24 (2)
Stoich.:	ABC5D18E24 (2)
Weight, g/mol:	99.050426
ΔH_f, kcal/mol:	-455.45
Dipole, Da:	2.95
IP(EA), eV:	-7.85(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1=CC(=C(C=C1)OC)OC)NC2=CC=CC3=C2C=CC=C3NC(C4=CC(=C(C=C4)OC)OC)P(=O)(OCC)OCC)OCC

DOS

IR

Vibrations