Geometry & MOs

Info

ID:	337378
PubChem CID:	127257063
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	316.977712
ΔH_f, kcal/mol:	-75.64
Dipole, Da:	4.1
IP(EA), eV:	-9.59(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trichloropropyl quinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1CCC(C1)C2(CCCC2C(=O)NN)C3=C(C=NC4=CC=CC=C43)C(=O)O

DOS

IR

Vibrations