Geometry & MOs

Info

ID:	36542
PubChem CID:	8008130
Reduced:	BrNO4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	311.10456
ΔH_f, kcal/mol:	-126.35
Dipole, Da:	4.01
IP(EA), eV:	-8.84(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-1-(4-fluorophenyl)propylideneamino]-5-(trifluoromethyl)pyridin-2-amine

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)OC)Br

DOS

IR

Vibrations