Geometry & MOs

Info

ID:	194903
PubChem CID:	78606086
Reduced:	OSN5C20H21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	385.225308
ΔH_f, kcal/mol:	68.33
Dipole, Da:	2.49
IP(EA), eV:	-8.59(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(4-methylphenyl)propylamino]-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2CC=C)C3=CC=NC=C3

DOS

IR

Vibrations