Geometry & MOs

Info

ID:	71261
PubChem CID:	48414533
Reduced:	SO2N3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	27.71
Dipole, Da:	4.91
IP(EA), eV:	-8.73(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-but-3-ynylpiperazin-1-yl)-3-oxopropyl]-3-ethylbenzimidazol-2-one

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COC2=CC=CC(=C2)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations