Geometry & MOs

Info

ID:	399831
PubChem CID:	135042986
Reduced:	NO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	248.143925
ΔH_f, kcal/mol:	-143.28
Dipole, Da:	3.51
IP(EA), eV:	-9.82(0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

phenyl(6-phenylhex-5-ynylidene)azanium

Drug info:

PubChemData

Smile

CC[C@@H]1[C@H]2CCC[C@H](N2C(=O)O1)CC=O

DOS

IR

Vibrations