Geometry & MOs

Info

ID:	372927
PubChem CID:	131307162
Reduced:	NSO4H7C10 (1)
Stoich.:	ABC4D7E10 (1)
Weight, g/mol:	230.066697
ΔH_f, kcal/mol:	-40.26
Dipole, Da:	2.74
IP(EA), eV:	-9.47(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-amino-2-methoxy-6-(trifluoromethyl)phenyl]acetonitrile

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1CO)C=C(S2)C=O)[N+](=O)[O-]

DOS

IR

Vibrations