Geometry & MOs

Info

ID:	225824
PubChem CID:	87226482
Reduced:	NO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	151.04557
ΔH_f, kcal/mol:	-52.76
Dipole, Da:	5.73
IP(EA), eV:	-9.16(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1/C(=C/N)/C(C(=O)O1)CC2=CC=CC=C2

DOS

IR

Vibrations