Geometry & MOs

Info

ID:	447671
PubChem CID:	135284624
Reduced:	ClFON3C23H31 (1)
Stoich.:	ABCD3E23F31 (1)
Weight, g/mol:	401.186318
ΔH_f, kcal/mol:	-86.46
Dipole, Da:	5.19
IP(EA), eV:	-8.75(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-(5-aminopyrazolo[1,5-a]pyrimidin-7-yl)-3-fluorophenoxy]-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)CC(C)(COC1=C(C=C(C=C1)C2=CC(=NC=C2)NC3CCC(C3)F)Cl)N

DOS

IR

Vibrations