Geometry & MOs

Info

ID:	210917
PubChem CID:	80871141
Reduced:	ON2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	268.135782
ΔH_f, kcal/mol:	-23.4
Dipole, Da:	2.67
IP(EA), eV:	-9.02(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-methylsulfanyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC1=CC(=NC(=N1)N)OC2=CC=C(C=C2)CO

DOS

IR

Vibrations