Geometry & MOs

Info

ID:	52176
PubChem CID:	12014975
Reduced:	ON3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	213.090212
ΔH_f, kcal/mol:	44.68
Dipole, Da:	6.51
IP(EA), eV:	-8.94(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(benzimidazol-1-yl)-N-prop-2-ynylacetamide

Drug info:

PubChemData

Smile

CC(=O)N(CC=C)N1C=NC2=CC=CC=C21

DOS

IR

Vibrations