Geometry & MOs

Info

ID:	415242
PubChem CID:	135088234
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	-44.02
Dipole, Da:	1.76
IP(EA), eV:	-8.72(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-piperidin-1-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC3=NC=CC(=N3)N4CCCC(C4)O

DOS

IR

Vibrations