Geometry & MOs

Info

ID:	447326
PubChem CID:	135282036
Reduced:	FON3C19H26 (1)
Stoich.:	ABC3D19E26 (1)
Weight, g/mol:	435.233348
ΔH_f, kcal/mol:	-58.68
Dipole, Da:	3.09
IP(EA), eV:	-9.18(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[1-[2,5-difluoro-4-(6-methylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=NC(=C(C=C2)OC[C@@H](C)CC(C)(C)N)CF

DOS

IR

Vibrations