Geometry & MOs

Info

ID:	433205
PubChem CID:	135173342
Reduced:	BrN2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	206.061076
ΔH_f, kcal/mol:	-46.6
Dipole, Da:	5.38
IP(EA), eV:	-8.63(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-7-chloro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/N)/C=NC1=CC=C(C=C1)CBr

DOS

IR

Vibrations