Geometry & MOs

Info

ID:	71342
PubChem CID:	48414657
Reduced:	OS2N5C16H19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	377.158685
ΔH_f, kcal/mol:	90.08
Dipole, Da:	4.0
IP(EA), eV:	-8.76(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(3,4,5-trimethoxy-2-nitrophenyl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CN2C(=NNC2=S)C3=CC=CS3

DOS

IR

Vibrations