Geometry & MOs

Info

ID:	242325
PubChem CID:	96099857
Reduced:	O3N4C16H20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	293.137556
ΔH_f, kcal/mol:	-66.11
Dipole, Da:	7.31
IP(EA), eV:	-9.25(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[5,6-dimethoxy-2-(methylaminomethyl)benzimidazol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C(=O)N1)C(=O)N2CCC[C@H]2C3=NOC(=N3)C(C)C

DOS

IR

Vibrations