Geometry & MOs

Info

ID:	418549
PubChem CID:	135105685
Reduced:	SN2O2C17H22 (1)
Stoich.:	AB2C2D17E22 (1)
Weight, g/mol:	313.133888
ΔH_f, kcal/mol:	-59.33
Dipole, Da:	6.35
IP(EA), eV:	-8.58(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-3-N,3-N-dimethylpyrazine-2,3-diamine

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)C3=C(N=CC=C3)SC)OCC1

DOS

IR

Vibrations