Geometry & MOs

Info

ID:	85588
PubChem CID:	49877343
Reduced:	OCl2N2C17H19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	318.083171
ΔH_f, kcal/mol:	14.34
Dipole, Da:	5.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.247165
Charge, e:	-1

Chem-info

IUPAC name:

N-benzyl-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine;chloride

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=O)CCl.[Cl-]

DOS

IR

Vibrations