Geometry & MOs

Info

ID:	312519
PubChem CID:	126606216
Reduced:	FON7C20H22 (1)
Stoich.:	ABC7D20E22 (1)
Weight, g/mol:	202.071783
ΔH_f, kcal/mol:	36.79
Dipole, Da:	2.97
IP(EA), eV:	-8.44(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethanimidoyl-4-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

CNCC1(CC1)NC(=O)C2=CNC3=NC=C(N=C23)C(=N)C4=C(C=C(C=C4)F)NC

DOS

IR

Vibrations