Geometry & MOs

Info

ID:	262945
PubChem CID:	103330591
Reduced:	OSN4C13H18 (1)
Stoich.:	ABC4D13E18 (1)
Weight, g/mol:	308.029873
ΔH_f, kcal/mol:	-12.01
Dipole, Da:	2.98
IP(EA), eV:	-8.35(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2-chloro-6-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C(N=C2S1)N)NC(C)C3CCOC3

DOS

IR

Vibrations