Geometry & MOs

Info

ID:	32121
PubChem CID:	4266156
Reduced:	Cl2O2N3C28H31 (1)
Stoich.:	A2B2C3D28E31 (1)
Weight, g/mol:	339.138505
ΔH_f, kcal/mol:	-36.62
Dipole, Da:	6.32
IP(EA), eV:	-8.31(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-1-(2-phenylethenyl)isochromenylium

Drug info:

PubChemData

Smile

CC(C)COC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4Cl)Cl

DOS

IR

Vibrations