Geometry & MOs

Info

ID:	13903
PubChem CID:	399767
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-96.77
Dipole, Da:	6.65
IP(EA), eV:	-8.27(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(1H-benzimidazol-2-yl)-3-[[(2R)-2-hydroxypropyl]amino]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C(=CNC[C@@H](C)O)C1=NC2=CC=CC=C2N1

DOS

IR

Vibrations