Geometry & MOs

Info

ID:	216414
PubChem CID:	85086201
Reduced:	ON2H5C7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	266.103083
ΔH_f, kcal/mol:	57.21
Dipole, Da:	4.04
IP(EA), eV:	-9.14(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(dimethylamino)-5-[3-(trifluoromethyl)phenyl]penta-2,4-dienenitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C3=COC=C3)N4C(=CC2N)N=NC4=O

DOS

IR

Vibrations