Geometry & MOs

Info

ID:	447685
PubChem CID:	135284781
Reduced:	FON5C19H24 (1)
Stoich.:	ABC5D19E24 (1)
Weight, g/mol:	430.177168
ΔH_f, kcal/mol:	-13.86
Dipole, Da:	4.7
IP(EA), eV:	-8.66(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-chloro-4-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)phenoxy]-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)CC(C)(COC1=C(C=C(C=C1)C2=CC(=NC3=CC=NN32)N)F)N

DOS

IR

Vibrations