Geometry & MOs

Info

ID:	375419
PubChem CID:	131529602
Reduced:	S2N3C11H15 (1)
Stoich.:	A2B3C11D15 (1)
Weight, g/mol:	252.98507
ΔH_f, kcal/mol:	32.76
Dipole, Da:	1.54
IP(EA), eV:	-8.33(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-aminophenyl)-4-bromo-1H-imidazol-2-one

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)C)CC2=C(C=C(N2)N)SC

DOS

IR

Vibrations