Geometry & MOs

Info

ID:	127022
PubChem CID:	50987726
Reduced:	ClO2N3H17C22 (2)
Stoich.:	AB2C3D17E22 (2)
Weight, g/mol:	497.12156
ΔH_f, kcal/mol:	19.36
Dipole, Da:	7.15
IP(EA), eV:	-7.87(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(E)-1,2-diphenylbut-1-enyl]-2-iodophenoxy]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N/N=C/2\C3=CC=CC=C3C=C(C2=O)C(=O)NC4=CC(=C(C=C4C)NC(=O)C5=CC6=CC=CC=C6/C(=N\NC7=C(C=CC(=C7)Cl)C)/C5=O)C

DOS

IR

Vibrations