Geometry & MOs

Info

ID:	414670
PubChem CID:	135087629
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	331.237211
ΔH_f, kcal/mol:	-25.41
Dipole, Da:	8.51
IP(EA), eV:	-9.74(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-6-pyrrolidin-1-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CN1C=C(N=C1)C(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations