Geometry & MOs

Info

ID:	355723
PubChem CID:	127289796
Reduced:	O2N5C21H23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	352.147016
ΔH_f, kcal/mol:	-15.96
Dipole, Da:	6.29
IP(EA), eV:	-8.99(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CCC2(C1)C(=O)NC3=CC=CC=C3N2C(=O)CN4CCC5=CN=CN=C5C4

DOS

IR

Vibrations