Geometry & MOs

Info

ID:	85901
PubChem CID:	49879995
Reduced:	ClN2O2C18H18 (1)
Stoich.:	AB2C2D18E18 (1)
Weight, g/mol:	325.110766
ΔH_f, kcal/mol:	-17.19
Dipole, Da:	3.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.625261
Charge, e:	-1

Chem-info

IUPAC name:

3-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]phenol;chloride

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC=C(C2=N1)OC)NC3=CC=CC=C3OC.[Cl-]

DOS

IR

Vibrations