Geometry & MOs

Info

ID:	161857
PubChem CID:	57392864
Reduced:	FN5H14C17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	325.131408
ΔH_f, kcal/mol:	74.34
Dipole, Da:	5.6
IP(EA), eV:	-8.19(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(3-ethoxy-4-methoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=NC(=NN1)C2=NC(=C3N2C=CC=C3)CC4=CC=CC=C4F

DOS

IR

Vibrations