Geometry & MOs

Info

ID:	337782
PubChem CID:	127258405
Reduced:	BrO4C5H7 (1)
Stoich.:	AB4C5D7 (1)
Weight, g/mol:	515.263151
ΔH_f, kcal/mol:	-160.19
Dipole, Da:	1.21
IP(EA), eV:	-10.96(-2.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butanedioic acid;2-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]-1-(3,4-dimethoxyphenyl)propan-1-ol

Drug info:

PubChemData

Smile

COC(=O)CCC(=O)OBr

DOS

IR

Vibrations