Geometry & MOs

Info

ID:	447339
PubChem CID:	135282130
Reduced:	OF3N3C19H24 (1)
Stoich.:	AB3C3D19E24 (1)
Weight, g/mol:	540.255955
ΔH_f, kcal/mol:	-156.0
Dipole, Da:	7.57
IP(EA), eV:	-9.34(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[4-[4-(2-amino-2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]-ethylcarbamoyl] tert-butyl carbonate

Drug info:

PubChemData

Smile

CC(CC(C)(C)N)COC1=C(N=C(C=C1)C2=CC(=NC=C2)C(F)F)CF

DOS

IR

Vibrations