Geometry & MOs

Info

ID:	154523
PubChem CID:	56313980
Reduced:	FO2N5C25H26 (1)
Stoich.:	AB2C5D25E26 (1)
Weight, g/mol:	381.177645
ΔH_f, kcal/mol:	-14.6
Dipole, Da:	5.84
IP(EA), eV:	-9.23(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)C3CCCN3C(=O)/C=C/C4=CC(=C(C=C4)OC5=CN=CC=C5)F

DOS

IR

Vibrations