Geometry & MOs

Info

ID:	51665
PubChem CID:	12014373
Reduced:	NO2C26H29 (1)
Stoich.:	AB2C26D29 (1)
Weight, g/mol:	465.266779
ΔH_f, kcal/mol:	-23.9
Dipole, Da:	2.94
IP(EA), eV:	-9.13(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1-adamantylamino)-3,3,3-triphenylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)NC(C(=O)OC)C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations