Geometry & MOs

Info

ID:	71352
PubChem CID:	48414671
Reduced:	N2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	361.146013
ΔH_f, kcal/mol:	-6.9
Dipole, Da:	3.78
IP(EA), eV:	-8.75(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone

Drug info:

PubChemData

Smile

COCC1=CC(=CC=C1)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations