Geometry & MOs

Info

ID:	361406
PubChem CID:	127303272
Reduced:	ON5C19H19 (1)
Stoich.:	AB5C19D19 (1)
Weight, g/mol:	368.178316
ΔH_f, kcal/mol:	71.48
Dipole, Da:	8.24
IP(EA), eV:	-9.68(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C=C1C(=O)N3CCN4C(=NN=C4C5CC5)C3

DOS

IR

Vibrations