Geometry & MOs

Info

ID:	366678
PubChem CID:	127320207
Reduced:	OSN6C16H20 (1)
Stoich.:	ABC6D16E20 (1)
Weight, g/mol:	383.189215
ΔH_f, kcal/mol:	31.78
Dipole, Da:	2.48
IP(EA), eV:	-8.95(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CSC2=NC(=CC(=O)N12)CN3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations