Geometry & MOs

Info

ID:	13902
PubChem CID:	399764
Reduced:	N3O4H19C20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	365.137556
ΔH_f, kcal/mol:	-80.88
Dipole, Da:	7.35
IP(EA), eV:	-8.17(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(1H-benzimidazol-2-yl)-3-(1,3-benzodioxol-5-ylmethylamino)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C(=CNCC1=CC2=C(C=C1)OCO2)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations