Geometry & MOs

Info

ID:	163366
PubChem CID:	57887426
Reduced:	NO3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	299.092184
ΔH_f, kcal/mol:	-39.03
Dipole, Da:	3.61
IP(EA), eV:	-9.95(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]isoquinoline

Drug info:

PubChemData

Smile

CC(C)OCC1=CC=CC=C1[N+](=O)[O-]

DOS

IR

Vibrations