Geometry & MOs

Info

ID:	32560
PubChem CID:	7844625
Reduced:	NO5C25H25 (1)
Stoich.:	AB5C25D25 (1)
Weight, g/mol:	428.231122
ΔH_f, kcal/mol:	-126.27
Dipole, Da:	3.95
IP(EA), eV:	-8.92(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 4-butoxybenzoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1OCC(=O)OCC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations