Geometry & MOs

Info

ID:	397468
PubChem CID:	135030253
Reduced:	OF2N3H17C22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	331.132077
ΔH_f, kcal/mol:	13.51
Dipole, Da:	7.91
IP(EA), eV:	-9.16(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,5E)-5-benzylidene-2-(nitromethylidene)-1-(3-phenylprop-2-ynyl)imidazolidine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)CC2=CN=C3N2CC4=C(ON=C43)C5=C(C=CC(=C5)F)C

DOS

IR

Vibrations