Geometry & MOs

Info

ID:	447659
PubChem CID:	135284513
Reduced:	FO3N4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	-102.03
Dipole, Da:	3.56
IP(EA), eV:	-9.0(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-cyano-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy)-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=C1)C2=CC=NC3=CC=NN23)F

DOS

IR

Vibrations