Geometry & MOs

Info

ID:	147254
PubChem CID:	53786908
Reduced:	FNC28H40 (1)
Stoich.:	ABC28D40 (1)
Weight, g/mol:	263.090606
ΔH_f, kcal/mol:	-52.79
Dipole, Da:	6.65
IP(EA), eV:	-9.67(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-benzimidazol-2-yl)-2-[carboxymethyl(methyl)amino]acetic acid

Drug info:

PubChemData

Smile

C1CC(CCC1CCCC=CCCF)CCC2CCC(CC2)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations