Geometry & MOs

Info

ID:	407617
PubChem CID:	135080366
Reduced:	O2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	162.128275
ΔH_f, kcal/mol:	-99.65
Dipole, Da:	2.83
IP(EA), eV:	-9.53(0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-(3-methylphenyl)methylidene-propylazanium

Drug info:

PubChemData

Smile

CCCC[C@@H]([C@](C)(C1=CC=CC=C1)O)O

DOS

IR

Vibrations