Geometry & MOs

Info

ID:	331254
PubChem CID:	127248661
Reduced:	O3N6C23H26 (1)
Stoich.:	A3B6C23D26 (1)
Weight, g/mol:	326.185509
ΔH_f, kcal/mol:	-11.13
Dipole, Da:	5.79
IP(EA), eV:	-8.9(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(dimethylamino)-5-pyrimidin-5-ylpyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CCN(C2)C(=O)C3=C(C=CC=C3OC)OC)C4=CN=CN=C4

DOS

IR

Vibrations