Geometry & MOs

Info

ID:	36176
PubChem CID:	7980851
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	418.225643
ΔH_f, kcal/mol:	-61.71
Dipole, Da:	4.02
IP(EA), eV:	-8.91(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-adamantylmethylamino)-2-oxoethoxy]-N-phenylbenzamide

Drug info:

PubChemData

Smile

CC(C)[C@@](C)(C#N)NC(=O)COC1=CC=CC=C1C(=O)NC2=CC=CC=C2

DOS

IR

Vibrations