Geometry & MOs

Info

ID:	402838
PubChem CID:	135057460
Reduced:	BrO2H17C19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	322.129298
ΔH_f, kcal/mol:	-23.31
Dipole, Da:	2.43
IP(EA), eV:	-9.31(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-propyl-4-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CC(=C(O1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)CBr

DOS

IR

Vibrations