Geometry & MOs

Info

ID:	443211
PubChem CID:	135258115
Reduced:	O2C15H22 (1)
Stoich.:	A2B15C22 (1)
Weight, g/mol:	441.193153
ΔH_f, kcal/mol:	-82.93
Dipole, Da:	3.63
IP(EA), eV:	-8.86(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[(1Z,3E)-3-chloro-1-(methylideneamino)penta-1,3-dienyl]-5-propan-2-ylpyridin-4-yl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1CCC1CCOC2=CC=C(C=C2)CO

DOS

IR

Vibrations