Geometry & MOs

Info

ID:	194984
PubChem CID:	78617154
Reduced:	O3N4C24H33 (1)
Stoich.:	A3B4C24D33 (1)
Weight, g/mol:	309.108897
ΔH_f, kcal/mol:	-44.48
Dipole, Da:	5.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.081603
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-methoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine

Drug info:

PubChemData

Smile

CC(=NNC(=O)CNC1=CC=C(C=C1)OC)C2=CC(=C(C=C2)OC)C[NH+]3CCCCC3

DOS

IR

Vibrations