Geometry & MOs

Info

ID:	447684
PubChem CID:	135284766
Reduced:	FO2N3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	357.196489
ΔH_f, kcal/mol:	-91.35
Dipole, Da:	1.13
IP(EA), eV:	-8.87(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-(2-amino-2,4-dimethylpentoxy)-3-fluorophenyl]pyrazolo[1,5-a]pyrimidin-5-amine

Drug info:

PubChemData

Smile

CC(C)C[C@@](C)(COC1=C(C=C(C=C1)C2=C3C(=NC=C2)CN(C3=O)C)F)N

DOS

IR

Vibrations