Geometry & MOs

Info

ID:	439471
PubChem CID:	135229245
Reduced:	O14C27H32 (1)
Stoich.:	A14B27C32 (1)
Weight, g/mol:	203.067032
ΔH_f, kcal/mol:	-572.78
Dipole, Da:	4.3
IP(EA), eV:	-9.37(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(methyliminomethyl)-2-(trifluoromethyl)pyridin-4-amine

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2[C@@H](OC(C(C2O)O)CO)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)O)O)O

DOS

IR

Vibrations