Geometry & MOs

Info

ID:	429851
PubChem CID:	135169904
Reduced:	O2N3F4H13C16 (1)
Stoich.:	A2B3C4D13E16 (1)
Weight, g/mol:	452.10718
ΔH_f, kcal/mol:	-196.27
Dipole, Da:	5.8
IP(EA), eV:	-9.46(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-4,4,4-trifluoro-3-naphthalen-1-ylimino-N-[2-(trifluoromethyl)pyridin-4-yl]butanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(NC1)C2=C3C=CC=C(C3=NC=C2)F)C(F)(F)F

DOS

IR

Vibrations