Geometry & MOs

Info

ID:	245433
PubChem CID:	99444702
Reduced:	BrON2H19C20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	366.230728
ΔH_f, kcal/mol:	42.49
Dipole, Da:	5.34
IP(EA), eV:	-9.7(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-cyanophenyl)ethyl]-N-ethyl-2-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide

Drug info:

PubChemData

Smile

CCN([C@@H](C)C1=CC=C(C=C1)C#N)C(=O)/C=C/C2=CC=C(C=C2)Br

DOS

IR

Vibrations