Geometry & MOs

Info

ID:	147125
PubChem CID:	53786778
Reduced:	NO2H10C12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	192.162649
ΔH_f, kcal/mol:	-55.23
Dipole, Da:	4.81
IP(EA), eV:	-9.79(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3,5-dimethylphenyl)butane-1,4-diamine

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=N2)OC(=O)C3=CC=CC=C3)C#N

DOS

IR

Vibrations