Geometry & MOs

Info

ID:	184608
PubChem CID:	77182937
Reduced:	O3N7C23H37 (1)
Stoich.:	A3B7C23D37 (1)
Weight, g/mol:	414.167853
ΔH_f, kcal/mol:	-87.87
Dipole, Da:	3.79
IP(EA), eV:	-8.76(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-benzoyloxy-5-hydroxy-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-3-yl] benzoate

Drug info:

PubChemData

Smile

CC1CN(C(CN1C(=O)N2CC3C(C2(C)C)NNC3NC(=O)C4=CC=CC=N4)C)CCOC

DOS

IR

Vibrations