Geometry & MOs

Info

ID:	182828
PubChem CID:	76942301
Reduced:	BrN2O2H13C15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	349.07897
ΔH_f, kcal/mol:	-9.8
Dipole, Da:	6.89
IP(EA), eV:	-9.74(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-amino-2-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-bromo-1,6-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(C2=CC3=NC(=O)NC3=CC2Br)O

DOS

IR

Vibrations