Geometry & MOs

Info

ID:	305727
PubChem CID:	124967002
Reduced:	ON3C9H10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	306.115047
ΔH_f, kcal/mol:	44.63
Dipole, Da:	5.52
IP(EA), eV:	-9.6(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[(2S)-4-(1,3-thiazol-4-ylmethyl)morpholin-2-yl]ethyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=NC=C(N=C2)C[C@H]3CCN(C3)C(=O)C4=CC=NN4

DOS

IR

Vibrations