Geometry & MOs

Info

ID:	49293
PubChem CID:	11532670
Reduced:	SO3N4H22C25 (1)
Stoich.:	AB3C4D22E25 (1)
Weight, g/mol:	458.293328
ΔH_f, kcal/mol:	51.24
Dipole, Da:	8.34
IP(EA), eV:	-9.04(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CCS(=O)(=O)N(CC#C)C1=CC=CC(=C1)C2=CC=NC3=C(N=CN23)C(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations