Geometry & MOs

Info

ID:	1991
PubChem CID:	5516
Reduced:	ClNOC26H28 (1)
Stoich.:	ABCD26E28 (1)
Weight, g/mol:	405.185942
ΔH_f, kcal/mol:	24.41
Dipole, Da:	3.79
IP(EA), eV:	-8.7(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-chloro-1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations