Geometry & MOs

Info

ID:	440623
PubChem CID:	135230639
Reduced:	FO2N4C14H15 (2)
Stoich.:	AB2C4D14E15 (2)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	-85.93
Dipole, Da:	12.15
IP(EA), eV:	-8.93(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(cyclopentylmethyl)-5-(methylaminomethyl)pyrazol-3-yl]oxymethyl]benzonitrile

Drug info:

PubChemData

Smile

CCOC1=NC=C(C=N1)C2=NN(C(=C2C)NC(=O)N[C@@H]3CN(O[C@H]3C4=CC(=C(N=C4)F)F)CCOC)C5=CC=CC=C5

DOS

IR

Vibrations