Geometry & MOs

Info

ID:	210566
PubChem CID:	80823806
Reduced:	ON4C14H20 (1)
Stoich.:	AB4C14D20 (1)
Weight, g/mol:	275.210996
ΔH_f, kcal/mol:	11.81
Dipole, Da:	3.27
IP(EA), eV:	-8.47(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC1=NC2=CC=CC=C2C(=N1)N(C)CCCOC

DOS

IR

Vibrations