Geometry & MOs

Info

ID:	371853
PubChem CID:	131275669
Reduced:	FN2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	207.064391
ΔH_f, kcal/mol:	-96.82
Dipole, Da:	3.2
IP(EA), eV:	-9.63(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-4-methoxy-3-nitrophenyl)acetonitrile

Drug info:

PubChemData

Smile

CCC(C(C1=C(C(=CC(=C1)C#N)F)O)N)O

DOS

IR

Vibrations