Geometry & MOs

Info

ID:	42436
PubChem CID:	8149554
Reduced:	ON4C21H24 (1)
Stoich.:	AB4C21D24 (1)
Weight, g/mol:	361.18758
ΔH_f, kcal/mol:	21.05
Dipole, Da:	3.93
IP(EA), eV:	-8.01(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1C#N)NC2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations