Geometry & MOs

Info

ID:	26599
PubChem CID:	793369
Reduced:	OC8H11 (2)
Stoich.:	AB8C11 (2)
Weight, g/mol:	328.085935
ΔH_f, kcal/mol:	-91.98
Dipole, Da:	4.53
IP(EA), eV:	-9.56(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(4,5-dimethoxy-2-nitrophenyl)-3-(2-fluorophenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC[C@@]1(C[C@H](CCO1)C(=O)C2=CC=CC(=C2)C)C

DOS

IR

Vibrations