Geometry & MOs

Info

ID:	127023
PubChem CID:	50987807
Reduced:	INOC26H28 (1)
Stoich.:	ABCD26E28 (1)
Weight, g/mol:	369.209264
ΔH_f, kcal/mol:	48.02
Dipole, Da:	3.13
IP(EA), eV:	-8.74(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]aziridine

Drug info:

PubChemData

Smile

CC/C(=C(/C1=CC=CC=C1)\C2=CC(=C(C=C2)OCCN(C)C)I)/C3=CC=CC=C3

DOS

IR

Vibrations