Geometry & MOs

Info

ID:	71516
PubChem CID:	48414984
Reduced:	OSN2C21H22 (1)
Stoich.:	ABC2D21E22 (1)
Weight, g/mol:	352.124549
ΔH_f, kcal/mol:	53.46
Dipole, Da:	4.12
IP(EA), eV:	-8.8(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

DOS

IR

Vibrations