Geometry & MOs

Info

ID:	71660
PubChem CID:	48415168
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-35.84
Dipole, Da:	1.96
IP(EA), eV:	-8.75(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[1-(2-nitrophenyl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations