Geometry & MOs

Info

ID:	447692
PubChem CID:	135284826
Reduced:	FO3N4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	417.177645
ΔH_f, kcal/mol:	-106.42
Dipole, Da:	5.02
IP(EA), eV:	-8.98(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-2-amino-2,4-dimethylpentoxy]-5-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)CC(C)(COC1=C(C=C(C=C1)C2=C3C=NN(C3=NC=C2)C)F)NC(=O)O

DOS

IR

Vibrations