Geometry & MOs

Info

ID:	193250
PubChem CID:	78363747
Reduced:	BrFO2N5C17H21 (1)
Stoich.:	ABC2D5E17F21 (1)
Weight, g/mol:	287.14339
ΔH_f, kcal/mol:	-1.65
Dipole, Da:	4.84
IP(EA), eV:	-8.94(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)-3-(4-fluorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)CNC2NNNN2)Br)OCC3=CC=C(C=C3)F

DOS

IR

Vibrations