Geometry & MOs

Info

ID:	42439
PubChem CID:	8149557
Reduced:	N4O4C18H25 (1)
Stoich.:	A4B4C18D25 (1)
Weight, g/mol:	360.179755
ΔH_f, kcal/mol:	-121.31
Dipole, Da:	7.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760716
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-[(S)-(4-methoxyphenyl)-morpholin-4-ylmethyl]-1,3-dimethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN1C(=C(C(=O)N(C1=O)C)[C@H](C2=CC=C(C=C2)OC)[NH+]3CCOCC3)N

DOS

IR

Vibrations