Geometry & MOs

Info

ID:	79858
PubChem CID:	49830881
Reduced:	Cl2O2N3H11C16 (1)
Stoich.:	A2B2C3D11E16 (1)
Weight, g/mol:	362.131366
ΔH_f, kcal/mol:	26.23
Dipole, Da:	2.46
IP(EA), eV:	-8.95(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-benzyl-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CNC2=C(C(=O)C2=O)NC3=CC=NC=C3)Cl)Cl

DOS

IR

Vibrations