Geometry & MOs

Info

ID:	71318
PubChem CID:	48414618
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	332.129156
ΔH_f, kcal/mol:	26.01
Dipole, Da:	3.21
IP(EA), eV:	-8.78(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(6-chloro-3,4-dihydro-2H-chromen-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(O2)CCC(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations