Geometry & MOs

Info

ID:	409124
PubChem CID:	135081900
Reduced:	NO3C20H22 (1)
Stoich.:	AB3C20D22 (1)
Weight, g/mol:	300.99125
ΔH_f, kcal/mol:	-64.85
Dipole, Da:	3.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761789
Charge, e:	0

Chem-info

IUPAC name:

magnesium;2-morpholin-4-yl-4,5-dihydroimidazole-1-carboxylate;bromide

Drug info:

PubChemData

Smile

C[CH]C(=O)C1C[C@H]2C[C@@H](C1=O)C[C@](C2)(C)C3=NC4=CC=CC=C4O3

DOS

IR

Vibrations