Geometry & MOs

Info

ID:	13901
PubChem CID:	399763
Reduced:	N3O4C18H25 (1)
Stoich.:	A3B4C18D25 (1)
Weight, g/mol:	347.184506
ΔH_f, kcal/mol:	-144.55
Dipole, Da:	2.17
IP(EA), eV:	-8.2(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(1H-benzimidazol-2-yl)-3-(2,2-diethoxyethylamino)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(CNC=C(C1=NC2=CC=CC=C2N1)C(=O)OCC)OCC

DOS

IR

Vibrations