Geometry & MOs

Info

ID:	144478
PubChem CID:	53375629
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	371.151288
ΔH_f, kcal/mol:	-138.04
Dipole, Da:	2.8
IP(EA), eV:	-9.21(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C)[C@@H](C1=CC=C(C=C1)C)O

DOS

IR

Vibrations