Geometry & MOs

Info

ID:	323966
PubChem CID:	126676690
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	460.306293
ΔH_f, kcal/mol:	-67.99
Dipole, Da:	2.74
IP(EA), eV:	-9.15(-0.64)
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-[[3-(piperazin-1-ylmethyl)phenyl]methyl]pyrazol-4-yl]pent-2-en-2-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC(=C1)C2=CC(NCC2)C

DOS

IR

Vibrations