Geometry & MOs

Info

ID:	365184
PubChem CID:	127317001
Reduced:	ON6C19H32 (1)
Stoich.:	AB6C19D32 (1)
Weight, g/mol:	397.204865
ΔH_f, kcal/mol:	-4.56
Dipole, Da:	2.17
IP(EA), eV:	-8.72(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)CC(=O)NC3CCN(CC3)C4CC4

DOS

IR

Vibrations