Geometry & MOs

Info

ID:	121377
PubChem CID:	50765583
Reduced:	O2N3H19C21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	414.124739
ΔH_f, kcal/mol:	17.18
Dipole, Da:	3.21
IP(EA), eV:	-8.77(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-5-chloro-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CCC3=CC=C(C=C3)NC(=O)C4=CC=CO4

DOS

IR

Vibrations