Geometry & MOs

Info

ID:	7292
PubChem CID:	71991
Reduced:	OCl2N3H25C26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	465.137468
ΔH_f, kcal/mol:	10.73
Dipole, Da:	5.06
IP(EA), eV:	-8.46(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(tert-butylamino)methyl]-6-(4-chlorophenyl)-4-[(7-chloroquinolin-4-yl)amino]phenol

Drug info:

PubChemData

Smile

CC(C)(C)NCC1=C(C(=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)C4=CC=C(C=C4)Cl)O

DOS

IR

Vibrations