Geometry & MOs

Info

ID:	41338
PubChem CID:	8145682
Reduced:	FSN5C21H24 (1)
Stoich.:	ABC5D21E24 (1)
Weight, g/mol:	353.179993
ΔH_f, kcal/mol:	47.05
Dipole, Da:	5.1
IP(EA), eV:	-8.36(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-phenyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)thieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=NN(C2=S)CN3CCN(CC3)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations