Geometry & MOs

Info

ID:	39138
PubChem CID:	8139775
Reduced:	NO4C18H27 (1)
Stoich.:	AB4C18D27 (1)
Weight, g/mol:	259.181038
ΔH_f, kcal/mol:	-186.39
Dipole, Da:	2.91
IP(EA), eV:	-8.78(0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[(2E,4E)-hexa-2,4-dienoyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H](C)OC(=O)CCOC1=CC=C(C=C1)C(C)(C)C

DOS

IR

Vibrations