Geometry & MOs

Info

ID:	438582
PubChem CID:	135228326
Reduced:	NO3C22H29 (1)
Stoich.:	AB3C22D29 (1)
Weight, g/mol:	264.090804
ΔH_f, kcal/mol:	-111.03
Dipole, Da:	8.09
IP(EA), eV:	-8.27(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methylbutan-2-ylsulfanyl)-3-(trifluoromethyl)pyridin-2-amine

Drug info:

PubChemData

Smile

CCCOCCCCCNC1=C2C=CC=C(C2=C(C=C1)C(=O)C)C(=O)C

DOS

IR

Vibrations