Geometry & MOs

Info

ID:	210919
PubChem CID:	80871223
Reduced:	O2N5C12H21 (1)
Stoich.:	A2B5C12D21 (1)
Weight, g/mol:	250.179361
ΔH_f, kcal/mol:	-45.14
Dipole, Da:	3.09
IP(EA), eV:	-9.07(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-propan-2-yl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)OCCN2CCCC2)OC

DOS

IR

Vibrations