Geometry & MOs

Info

ID:	280061
PubChem CID:	103846643
Reduced:	N2O4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	287.115758
ΔH_f, kcal/mol:	-99.18
Dipole, Da:	6.51
IP(EA), eV:	-8.76(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-methyl-2-nitrophenoxy)phenyl]propan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NCC(C)(CCOC)O)[N+](=O)[O-]

DOS

IR

Vibrations