Geometry & MOs

Info

ID:	293868
PubChem CID:	117407629
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-47.99
Dipole, Da:	8.25
IP(EA), eV:	-8.99(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(2-tert-butyl-3H-benzimidazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

CNCCC1=CC(=CC=C1)N2CCN(C(=O)C2=O)C

DOS

IR

Vibrations