Geometry & MOs

Info

ID:	353025
PubChem CID:	127284175
Reduced:	OSN5C18H25 (1)
Stoich.:	ABC5D18E25 (1)
Weight, g/mol:	387.209282
ΔH_f, kcal/mol:	7.56
Dipole, Da:	3.26
IP(EA), eV:	-8.85(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-piperidin-1-yl-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)butan-1-one

Drug info:

PubChemData

Smile

CCN1CCCCC1C(=O)N2CCN(CC2)C3=C4C=CSC4=NC=N3

DOS

IR

Vibrations