Geometry & MOs

Info

ID:	418233
PubChem CID:	135103923
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	319.135448
ΔH_f, kcal/mol:	-63.43
Dipole, Da:	3.53
IP(EA), eV:	-8.98(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-3-[2-[methyl-[(3-methylsulfanylphenyl)methyl]amino]ethyl]-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)CC(C2=CC=CC=C2)C3=CC=CO3

DOS

IR

Vibrations