Geometry & MOs

Info

ID:	176582
PubChem CID:	76069475
Reduced:	NO3C18H32 (2)
Stoich.:	AB3C18D32 (2)
Weight, g/mol:	349.152537
ΔH_f, kcal/mol:	-371.09
Dipole, Da:	4.3
IP(EA), eV:	-9.64(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-2,2-dimethyl-4-(2-oxopiperidin-4-yl)oxy-3,4-dihydrochromen-6-yl] acetate

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)NC1CCCCC1N(CCC(=O)O)C(=O)C2C(COC(O2)(C)C)(C)C

DOS

IR

Vibrations