Geometry & MOs

Info

ID:	137699
PubChem CID:	52246600
Reduced:	ON4H18C19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	301.215413
ΔH_f, kcal/mol:	55.41
Dipole, Da:	4.08
IP(EA), eV:	-8.59(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-(1-adamantyl)ethyl]-2-imidazol-1-ylpropanamide

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)C(=O)NCC3=CC=C(C=C3)N4C=CC=N4

DOS

IR

Vibrations