Geometry & MOs

Info

ID:	242318
PubChem CID:	96099850
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	-73.42
Dipole, Da:	4.51
IP(EA), eV:	-8.46(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[5-methoxy-2-(methylaminomethyl)benzimidazol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)[C@@H](C)C(=O)N2CCC[C@H]2C3=NOC(=N3)C(C)C

DOS

IR

Vibrations