Geometry & MOs

Info

ID:	447357
PubChem CID:	135282229
Reduced:	N3O3F5H22C23 (1)
Stoich.:	A3B3C5D22E23 (1)
Weight, g/mol:	388.130218
ΔH_f, kcal/mol:	-338.63
Dipole, Da:	1.59
IP(EA), eV:	-9.84(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-(6-chloropyrimidin-4-yl)-2-cyanophenoxy]-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C[C@@H](CC(C)(C)OC(=O)N)COC1=C(C=C(C=N1)C2=C3C(=CC(=CC3=NC=C2)F)F)C(F)(F)F

DOS

IR

Vibrations