Geometry & MOs

Info

ID:	71772
PubChem CID:	48415362
Reduced:	N3O4C20H23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	323.199762
ΔH_f, kcal/mol:	-72.8
Dipole, Da:	5.19
IP(EA), eV:	-8.4(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-2-(2,5-dimethyl-1H-indol-3-yl)ethanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations