Geometry & MOs

Info

ID:	272435
PubChem CID:	103743018
Reduced:	ClON2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	263.109233
ΔH_f, kcal/mol:	-18.14
Dipole, Da:	3.12
IP(EA), eV:	-8.91(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methyloxan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1(CCOCC1)CNC2=C(C=CC(=C2)Cl)C#N

DOS

IR

Vibrations