Geometry & MOs

Info

ID:	379060
PubChem CID:	134352196
Reduced:	ClO2N3C26H30 (1)
Stoich.:	AB2C3D26E30 (1)
Weight, g/mol:	213.076534
ΔH_f, kcal/mol:	-12.52
Dipole, Da:	3.42
IP(EA), eV:	-8.16(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylidene-8-(trifluoromethyl)-2,3-dihydro-1H-quinoline

Drug info:

PubChemData

Smile

COC(=O)CCCCCN1C/C(=C\NC2=CC=CC=C2)/C(=C(C1)C=NC3=CC=CC=C3)Cl

DOS

IR

Vibrations