Geometry & MOs

Info

ID:	151024
PubChem CID:	53790721
Reduced:	N2O2C13H14 (1)
Stoich.:	A2B2C13D14 (1)
Weight, g/mol:	181.073893
ΔH_f, kcal/mol:	-25.15
Dipole, Da:	2.55
IP(EA), eV:	-9.43(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-nitropropan-2-yl)phenol

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C(=CC2=CC=CC=N2)C=O

DOS

IR

Vibrations