Geometry & MOs

Info

ID:	306328
PubChem CID:	125003772
Reduced:	O3N5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-35.89
Dipole, Da:	4.82
IP(EA), eV:	-9.04(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,6-dimethyl-2-[(2R)-2-methyl-1-(oxan-4-yl)pyrrolidin-2-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)CC2=CC=CC=C2OCC(=O)O)CC3=NC=CN=C3C4=NC=CN4

DOS

IR

Vibrations