Geometry & MOs

Info

ID:	43123
PubChem CID:	10318854
Reduced:	O3N5H19C22 (1)
Stoich.:	A3B5C19D22 (1)
Weight, g/mol:	401.171497
ΔH_f, kcal/mol:	28.31
Dipole, Da:	0.98
IP(EA), eV:	-8.76(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(piperidin-1-ylmethyl)-4-[[2-(trifluoromethyl)quinolin-4-yl]amino]phenol

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NNC(=N2)C3=C(N=CC=C3)NCC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations