Geometry & MOs

Info

ID:	51662
PubChem CID:	12014369
Reduced:	NOC31H31 (1)
Stoich.:	ABC31D31 (1)
Weight, g/mol:	465.266779
ΔH_f, kcal/mol:	55.71
Dipole, Da:	2.94
IP(EA), eV:	-9.3(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1-adamantyl)-2-(tritylamino)acetate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C4C(=O)N4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations