Geometry & MOs

Info

ID:	25395
PubChem CID:	624090
Reduced:	ClNO3H12C14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	292.157563
ΔH_f, kcal/mol:	-90.8
Dipole, Da:	5.98
IP(EA), eV:	-9.35(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-tert-butylquinolin-4-yl)-pyridin-2-ylmethanol

Drug info:

PubChemData

Smile

CC1=C(C(=CC2=CC=C(C=C2)Cl)C(=O)N1)C(=O)OC

DOS

IR

Vibrations