Geometry & MOs

Info

ID:	372716
PubChem CID:	131303123
Reduced:	BrO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	217.132746
ΔH_f, kcal/mol:	-154.32
Dipole, Da:	3.05
IP(EA), eV:	-10.02(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylpyrimidin-4-yl)-2-(1H-imidazol-5-yl)ethanamine

Drug info:

PubChemData

Smile

CC(=O)C(C1=CC=CC(=C1C(=O)O)CO)Br

DOS

IR

Vibrations