Geometry & MOs

Info

ID:	323701
PubChem CID:	126675763
Reduced:	FH7C8 (4)
Stoich.:	AB7C8 (4)
Weight, g/mol:	383.279744
ΔH_f, kcal/mol:	-117.39
Dipole, Da:	0.47
IP(EA), eV:	-8.59(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,4E)-4-[(5Z)-5-butylidene-1H-triazol-4-ylidene]-5-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]pent-2-en-2-amine

Drug info:

PubChemData

Smile

CCC(CC1=C2C3=CC=CC=C3C4=CC=CC=C4C2=CC=C1)C5=C(C(=C(C(=C5F)F)C(C)(C)C)F)F

DOS

IR

Vibrations