Geometry & MOs

Info

ID:	46028
PubChem CID:	10520573
Reduced:	N2O2H20C21 (1)
Stoich.:	A2B2C20D21 (1)
Weight, g/mol:	332.086245
ΔH_f, kcal/mol:	-29.33
Dipole, Da:	6.85
IP(EA), eV:	-8.55(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-chloroanilino)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC=C2C3=C(C4=CC=CC=C4C=C13)C(=O)N(C2=O)CCN(C)C

DOS

IR

Vibrations