Geometry & MOs

Info

ID:	295416
PubChem CID:	117528370
Reduced:	FN3H12C16 (1)
Stoich.:	AB3C12D16 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	51.87
Dipole, Da:	5.55
IP(EA), eV:	-9.15(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-methyl-2-propan-2-ylbenzimidazol-5-yl)acetate

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)CC#N)N=C1C3=CC(=CC=C3)F

DOS

IR

Vibrations