Geometry & MOs

Info

ID:	53325
PubChem CID:	14710418
Reduced:	O2C13H26 (1)
Stoich.:	A2B13C26 (1)
Weight, g/mol:	364.193949
ΔH_f, kcal/mol:	-147.65
Dipole, Da:	1.73
IP(EA), eV:	-10.66(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-[N-(4-methylphenyl)-C-phenylcarbonimidoyl]-1-phenylhex-1-en-4-yn-1-amine

Drug info:

PubChemData

Smile

CCCCCCC(=O)OCC(CC)CC

DOS

IR

Vibrations