Geometry & MOs

Info

ID:	432587
PubChem CID:	135172721
Reduced:	NO2C12H18 (2)
Stoich.:	AB2C12D18 (2)
Weight, g/mol:	209.189198
ΔH_f, kcal/mol:	-173.17
Dipole, Da:	3.73
IP(EA), eV:	-8.84(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-2-N-ethyl-4-(2-methylbutylideneamino)penta-1,3-diene-2,3-diamine

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2[C@H]1N[C@@H](C2)[C@@H]([C@@H](C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC(C)(C)C)OC

DOS

IR

Vibrations