Geometry & MOs

Info

ID:	293869
PubChem CID:	117407636
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-65.07
Dipole, Da:	4.78
IP(EA), eV:	-9.19(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC2=C(N1)C=C(C=C2)C(CN)C(=O)O

DOS

IR

Vibrations