Geometry & MOs

Info

ID:	402377
PubChem CID:	135055745
Reduced:	N3O9C11H17 (1)
Stoich.:	A3B9C11D17 (1)
Weight, g/mol:	262.096935
ΔH_f, kcal/mol:	-340.31
Dipole, Da:	2.41
IP(EA), eV:	-10.32(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-phenylprop-2-enyl)-4-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CC(=O)OCC(C(C1[C@@H]([C@@H](C[C@](O1)(C(=O)O)O)O)N=[N+]=[N-])O)O

DOS

IR

Vibrations