Geometry & MOs

Info

ID:	299007
PubChem CID:	117667467
Reduced:	ClO3N5C21H24 (1)
Stoich.:	AB3C5D21E24 (1)
Weight, g/mol:	752.762162
ΔH_f, kcal/mol:	-91.45
Dipole, Da:	4.44
IP(EA), eV:	-9.1(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-docosoxytricosyl)-2-(hydroxymethyl)propane-1,3-diol

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)OC2=CN=CC(=C2)C3=CN=C4C(=C3Cl)CCCN4C(=O)N

DOS

IR

Vibrations