Geometry & MOs

Info

ID:	383336
PubChem CID:	134975007
Reduced:	N2H18C21 (1)
Stoich.:	A2B18C21 (1)
Weight, g/mol:	274.110613
ΔH_f, kcal/mol:	82.69
Dipole, Da:	1.03
IP(EA), eV:	-8.23(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-phenylprop-2-ynyl)benzimidazol-2-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC2=CC=CC=C21)NC3=CC4=CC=CC=C4C=N3

DOS

IR

Vibrations