Geometry & MOs

Info

ID:	35986
PubChem CID:	7980599
Reduced:	NSO2C21H21 (1)
Stoich.:	ABC2D21E21 (1)
Weight, g/mol:	406.189257
ΔH_f, kcal/mol:	-22.2
Dipole, Da:	4.46
IP(EA), eV:	-8.47(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-adamantylcarbamoylamino)-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CCCC3=CC=CS3

DOS

IR

Vibrations