Geometry & MOs

Info

ID:	421405
PubChem CID:	135115924
Reduced:	SN2O3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-87.03
Dipole, Da:	5.04
IP(EA), eV:	-8.69(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CSC1=C(C=CC=N1)C(=O)N2CCC[C@@]3([C@@H]2CCOC3)C4=CCOCC4

DOS

IR

Vibrations