Geometry & MOs

Info

ID:	270583
PubChem CID:	103637180
Reduced:	ClO2N5C12H14 (1)
Stoich.:	AB2C5D12E14 (1)
Weight, g/mol:	325.063634
ΔH_f, kcal/mol:	54.73
Dipole, Da:	9.33
IP(EA), eV:	-9.9(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-6-[[2-(3-methoxyphenyl)ethylamino]methyl]phenol

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNCC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations