Geometry & MOs

Info

ID:	447668
PubChem CID:	135284578
Reduced:	ClON4C22H27 (1)
Stoich.:	ABC4D22E27 (1)
Weight, g/mol:	402.145868
ΔH_f, kcal/mol:	43.29
Dipole, Da:	3.29
IP(EA), eV:	-9.0(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(C)COC1=C(C=C(C=C1)C2=CC=NC3=CC(=NN23)C4CC4)Cl)CN

DOS

IR

Vibrations