Geometry & MOs

Info

ID:	29473
PubChem CID:	834067
Reduced:	ClN3O4H10C16 (1)
Stoich.:	AB3C4D10E16 (1)
Weight, g/mol:	349.144471
ΔH_f, kcal/mol:	5.14
Dipole, Da:	4.57
IP(EA), eV:	-9.22(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C\2/C(=O)NN(C2=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations