Geometry & MOs

Info

ID:	372982
PubChem CID:	131307986
Reduced:	BrNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	206.069142
ΔH_f, kcal/mol:	-43.28
Dipole, Da:	2.74
IP(EA), eV:	-9.47(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-hydroxy-1H-benzimidazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1[C@](CCC2)(CO)N)Br

DOS

IR

Vibrations