Geometry & MOs

Info

ID:

193818

PubChem CID:

78442694

Reduced:

NO2H18C22 (1)

Stoich.:

AB2C18D22 (1)

Weight, g/mol:

253.134088

ΔHf, kcal/mol:

50.41

Dipole, Da:

9.27

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.902827

Charge, e:

 1

Chem-info

IUPAC name:

2-(acridin-10-ium-9-ylamino)propan-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=C2CCCC3=C(C4=CC=CC=C4N=C23)C(=O)[O-]

DOS

IR

Vibrations