Geometry & MOs

Info

ID:	262840
PubChem CID:	103322089
Reduced:	ClFISN3H8C13 (1)
Stoich.:	ABCDE3F8G13 (1)
Weight, g/mol:	322.101896
ΔH_f, kcal/mol:	44.14
Dipole, Da:	4.85
IP(EA), eV:	-8.91(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-methyl-4-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)thieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C(N=C2S1)Cl)NC3=C(C=C(C=C3)F)I

DOS

IR

Vibrations