Geometry & MOs

Info

ID:	85378
PubChem CID:	49874637
Reduced:	BrO2H13C15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	332.184841
ΔH_f, kcal/mol:	-39.65
Dipole, Da:	4.27
IP(EA), eV:	-9.21(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(6-amino-1,3-dimethyl-2-oxobenzimidazol-5-yl)piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC2=CC(=C(C(=C2)Br)O)C=O

DOS

IR

Vibrations