Geometry & MOs

Info

ID:	361122
PubChem CID:	127302038
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	310.146347
ΔH_f, kcal/mol:	-48.41
Dipole, Da:	4.82
IP(EA), eV:	-8.37(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-oxoethyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)C=C(N2)C(=O)NCC3CN(CCN3C)C

DOS

IR

Vibrations