Geometry & MOs

Info

ID:	427690
PubChem CID:	135161337
Reduced:	ClN5H20C23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	126.82
Dipole, Da:	3.86
IP(EA), eV:	-8.41(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(aminomethylidene)-N'-(1-ethoxyethyl)-4-phenylbut-3-ynimidamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C(=C2/C(=C(/C3=CC=CC=C3)\N)/Cl)N)CC4=CC=NC=C4

DOS

IR

Vibrations