Geometry & MOs

Info

ID:	426189
PubChem CID:	135142223
Reduced:	NO2C12H17 (2)
Stoich.:	AB2C12D17 (2)
Weight, g/mol:	176.131349
ΔH_f, kcal/mol:	-159.58
Dipole, Da:	2.78
IP(EA), eV:	-7.91(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,3-dimethyl-4-[(E)-prop-1-enyl]benzene-1,2-diamine

Drug info:

PubChemData

Smile

CCNC1=C(C=C(C(=C1N)C)C(C2=CC(=C(C=C2)C)CO)C(C)(C)C(=O)OC)OC

DOS

IR

Vibrations