Geometry & MOs

Info

ID:	222768
PubChem CID:	85332434
Reduced:	N3O3C33H37 (1)
Stoich.:	A3B3C33D37 (1)
Weight, g/mol:	524.06172
ΔH_f, kcal/mol:	10.55
Dipole, Da:	1.68
IP(EA), eV:	-8.6(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-4-methyl-2-[(3-methyl-1,3-benzoselenazol-3-ium-2-yl)methylidene]chromen-7-amine;perchlorate

Drug info:

PubChemData

Smile

CC#CC1(CCC2(C(C1)CCC3=C2C=CC(=C3)OCC4=NOC(=N4)C5=CCCN(C5)C)CC6=CC=CC=C6)O

DOS

IR

Vibrations