Geometry & MOs

Info

ID:	420976
PubChem CID:	135115148
Reduced:	O4N5C23H31 (1)
Stoich.:	A4B5C23D31 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	51.61
Dipole, Da:	7.03
IP(EA), eV:	-9.06(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-piperidin-1-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN1C2CCN(CC2)C(=O)CCCC3=CN(CCCOC4=C(C1=O)C=C(C=C4)OC)N=N3

DOS

IR

Vibrations