Geometry & MOs

Info

ID:	262959
PubChem CID:	103331417
Reduced:	SO2N3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	305.156184
ΔH_f, kcal/mol:	-55.11
Dipole, Da:	3.27
IP(EA), eV:	-8.25(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-6-methyl-4-(4-methylcyclohexyl)oxythieno[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)NCC)OCCOCC

DOS

IR

Vibrations