Geometry & MOs

Info

ID:	202577
PubChem CID:	79690158
Reduced:	NF2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	406.99532
ΔH_f, kcal/mol:	-60.29
Dipole, Da:	2.37
IP(EA), eV:	-9.2(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-2-(5-iodothiophen-3-yl)benzimidazole-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=CC(=C(C=C2)F)CNC

DOS

IR

Vibrations