Geometry & MOs

Info

ID:	252898
PubChem CID:	103114841
Reduced:	NO2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	296.173607
ΔH_f, kcal/mol:	-96.47
Dipole, Da:	5.24
IP(EA), eV:	-9.6(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methyl-3-nitrophenyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

Drug info:

PubChemData

Smile

CCCCOC(=O)CNCC1=C(C(=CC=C1)[N+](=O)[O-])C

DOS

IR

Vibrations