Geometry & MOs

Info

ID:	71601
PubChem CID:	48415094
Reduced:	N3O4C16H19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	309.184112
ΔH_f, kcal/mol:	-1.21
Dipole, Da:	8.09
IP(EA), eV:	-9.24(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-3-(1H-indol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)COC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations