Geometry & MOs

Info

ID:	71636
PubChem CID:	48415142
Reduced:	ON2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	18.67
Dipole, Da:	1.03
IP(EA), eV:	-8.97(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-but-3-ynylpiperazine-1-carbonyl)piperidin-1-yl]-cyclopropylmethanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CN2C3=CC=CC=C3N=CC2=O

DOS

IR

Vibrations