Geometry & MOs

Info

ID:	372225
PubChem CID:	131294449
Reduced:	BrSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	218.153147
ΔH_f, kcal/mol:	-84.68
Dipole, Da:	5.58
IP(EA), eV:	-8.74(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,5-dimethylpyrrol-1-yl)methyl]-3,5-dimethylimidazol-4-amine

Drug info:

PubChemData

Smile

COC1=CSC2=C(C=CC(=C12)Br)CC(=O)O

DOS

IR

Vibrations