Geometry & MOs

Info

ID:	447673
PubChem CID:	135284654
Reduced:	ClN3O4C23H30 (1)
Stoich.:	AB3C4D23E30 (1)
Weight, g/mol:	454.162803
ΔH_f, kcal/mol:	-157.92
Dipole, Da:	4.78
IP(EA), eV:	-8.86(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-fluoro-4-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenoxy]-2,4-dimethylpentan-2-yl] carbamate

Drug info:

PubChemData

Smile

CC(C)CC(C)(COC1=C(C=C(C=C1)C2=CC(=NC=C2)NC3CCOC3)Cl)NC(=O)O

DOS

IR

Vibrations