Geometry & MOs

Info

ID:	295336
PubChem CID:	117526732
Reduced:	O2N3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	-48.32
Dipole, Da:	3.63
IP(EA), eV:	-9.35(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]acetic acid

Drug info:

PubChemData

Smile

CCC1=NC2=C(N1)C=C(C=C2)C(C(=O)O)N

DOS

IR

Vibrations