Geometry & MOs

Info

ID:	356615
PubChem CID:	127291841
Reduced:	SN3O4C14H27 (1)
Stoich.:	AB3C4D14E27 (1)
Weight, g/mol:	355.157915
ΔH_f, kcal/mol:	-191.43
Dipole, Da:	7.79
IP(EA), eV:	-8.75(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine

Drug info:

PubChemData

Smile

CC(C)(CN1CCN(CC1)C(=O)CN2CCS(=O)(=O)CC2)O

DOS

IR

Vibrations