Geometry & MOs

Info

ID:	292995
PubChem CID:	117369547
Reduced:	NO5H9C12 (1)
Stoich.:	AB5C9D12 (1)
Weight, g/mol:	247.082013
ΔH_f, kcal/mol:	-105.44
Dipole, Da:	5.4
IP(EA), eV:	-9.21(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(E)-3-aminoprop-1-enyl]-2-methoxy-3-(trifluoromethyl)phenol

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)OCO2)C3=CC(=NO3)C(=O)O

DOS

IR

Vibrations