Geometry & MOs

Info

ID:	172415
PubChem CID:	75507379
Reduced:	ClON4H13C16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	380.105545
ΔH_f, kcal/mol:	38.36
Dipole, Da:	2.51
IP(EA), eV:	-9.2(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methoxymethyl)-5-[5-[2-(2-methylphenyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C=C1)CC2=NC3=C(N2C)C=CC(=C3)Cl)C#N

DOS

IR

Vibrations