Geometry & MOs

Info

ID:	429745
PubChem CID:	135169796
Reduced:	N3O3F4H14C17 (1)
Stoich.:	A3B3C4D14E17 (1)
Weight, g/mol:	325.05936
ΔH_f, kcal/mol:	-202.63
Dipole, Da:	4.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.567995
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-2-[N-(2-chloroquinolin-4-yl)-C-(trifluoromethyl)carbonimidoyl]buta-1,3-dien-1-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=C1)C2=C3C=CC=C(C3=C[N+](=C2)OC)F)C(F)(F)F

DOS

IR

Vibrations