Geometry & MOs

Info

ID:	42438
PubChem CID:	8149556
Reduced:	N2O2C9H12 (2)
Stoich.:	A2B2C9D12 (2)
Weight, g/mol:	361.18758
ΔH_f, kcal/mol:	-131.65
Dipole, Da:	3.35
IP(EA), eV:	-8.68(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-amino-5-[(S)-(4-methoxyphenyl)-morpholin-4-ium-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)N3CCOCC3)N

DOS

IR

Vibrations