Geometry & MOs

Info

ID:	71734
PubChem CID:	48415283
Reduced:	O2N3C22H29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	310.179361
ΔH_f, kcal/mol:	-23.2
Dipole, Da:	6.45
IP(EA), eV:	-9.04(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzimidazol-1-yl)-1-(4-but-3-ynylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2CCCN(C2)C(=O)CC3=CC=CC=C3

DOS

IR

Vibrations