Geometry & MOs

Info

ID:	305963
PubChem CID:	124976208
Reduced:	O2N3C22H23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	327.169525
ΔH_f, kcal/mol:	-5.55
Dipole, Da:	5.95
IP(EA), eV:	-9.6(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[4-(dimethylamino)-6-methylpyridin-2-yl]morpholin-4-yl]-pyrimidin-4-ylmethanone

Drug info:

PubChemData

Smile

C[C@]1(CCCN(C1)C(=O)C2=CC=NC=C2)C3=NC=C(O3)CC4=CC=CC=C4

DOS

IR

Vibrations