Geometry & MOs

Info

ID:	71376
PubChem CID:	48414722
Reduced:	NOC11H13 (2)
Stoich.:	ABC11D13 (2)
Weight, g/mol:	288.079619
ΔH_f, kcal/mol:	0.62
Dipole, Da:	2.79
IP(EA), eV:	-8.57(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(2,2-dichloro-1-methylcyclopropyl)methanone

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations