Geometry & MOs

Info

ID:	38345
PubChem CID:	8031307
Reduced:	ON3C16H22 (1)
Stoich.:	AB3C16D22 (1)
Weight, g/mol:	324.158626
ΔH_f, kcal/mol:	23.43
Dipole, Da:	7.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.998694
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCCC[NH+]1CC2=NN=C(O2)C3=CC=C(C=C3)C

DOS

IR

Vibrations