Geometry & MOs

Info

ID:	181461
PubChem CID:	76747734
Reduced:	F2O2N4C17H22 (1)
Stoich.:	A2B2C4D17E22 (1)
Weight, g/mol:	409.136174
ΔH_f, kcal/mol:	-169.24
Dipole, Da:	1.36
IP(EA), eV:	-8.71(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-2-methoxy-4-(trifluoromethyl)pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1(F)F)C(=O)NC2=CC=C(C=C2)CCC3COC(=N3)N

DOS

IR

Vibrations