Geometry & MOs

Info

ID:	71424
PubChem CID:	48414839
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	270.173213
ΔH_f, kcal/mol:	16.01
Dipole, Da:	3.43
IP(EA), eV:	-8.8(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(3,5-dimethylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations