Geometry & MOs

Info

ID:	429612
PubChem CID:	135169661
Reduced:	O2N3F4H13C16 (1)
Stoich.:	A2B3C4D13E16 (1)
Weight, g/mol:	353.06234
ΔH_f, kcal/mol:	-211.16
Dipole, Da:	3.67
IP(EA), eV:	-8.75(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-4,4,4-trifluoro-3-(4-nitronaphthalen-1-yl)iminobutanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=C1)C2=CNCC3=C2C=CC=C3F)C(F)(F)F

DOS

IR

Vibrations