Geometry & MOs

Info

ID:	421394
PubChem CID:	135115911
Reduced:	O2N3C23H23 (1)
Stoich.:	A2B3C23D23 (1)
Weight, g/mol:	317.156184
ΔH_f, kcal/mol:	8.42
Dipole, Da:	3.37
IP(EA), eV:	-9.58(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[(2-methylphenyl)methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)N[C@@H]4COC[C@H]4CC5=CC=NC=C5

DOS

IR

Vibrations