Geometry & MOs

Info

ID:	447316
PubChem CID:	135281970
Reduced:	OF2N3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	378.145868
ΔH_f, kcal/mol:	-122.56
Dipole, Da:	2.77
IP(EA), eV:	-9.5(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[6-(2-chloropyrimidin-4-yl)-2-methylpyridin-3-yl]oxy-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=CC(=C(N=C2)OCC(C)CC(C)(C)N)C(F)F

DOS

IR

Vibrations