Geometry & MOs

Info

ID:	447331
PubChem CID:	135282076
Reduced:	FN3O3C23H32 (1)
Stoich.:	AB3C3D23E32 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	-157.39
Dipole, Da:	4.15
IP(EA), eV:	-9.07(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-cyano-4-(6-methylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)C2=CC(=C(C=C2)OC[C@@H](C)CC(C)(C)N(C(=O)O)C(C)(C)C)F

DOS

IR

Vibrations