Geometry & MOs

Info

ID:	441499
PubChem CID:	135235421
Reduced:	OSF3N5C15H18 (1)
Stoich.:	ABC3D5E15F18 (1)
Weight, g/mol:	458.259934
ΔH_f, kcal/mol:	-105.14
Dipole, Da:	9.59
IP(EA), eV:	-8.86(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2-dihydrophosphinin-6-ylmethyl)-N'-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCS(=O)/C(=C(\C1=NC2=CC(=NC=C2N1C)C(F)(F)F)/N=CC)/NC

DOS

IR

Vibrations