Geometry & MOs

Info

ID:	418265
PubChem CID:	135104028
Reduced:	SO5N6C25H30 (1)
Stoich.:	AB5C6D25E30 (1)
Weight, g/mol:	277.153875
ΔH_f, kcal/mol:	-113.97
Dipole, Da:	2.91
IP(EA), eV:	-8.36(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCN2C=CN=C2C3=CC(=C(C=C3)OC)OCCN(CC(=O)N1)C(=O)C4=CSC=N4

DOS

IR

Vibrations