Geometry & MOs

Info

ID:	30495
PubChem CID:	841414
Reduced:	FN2O2C17H17 (1)
Stoich.:	AB2C2D17E17 (1)
Weight, g/mol:	289.124883
ΔH_f, kcal/mol:	-55.55
Dipole, Da:	5.76
IP(EA), eV:	-8.63(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC=C1C=NNC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations