Geometry & MOs

Info

ID:	175753
PubChem CID:	75943221
Reduced:	BrClFNOH14C17 (1)
Stoich.:	ABCDEF14G17 (1)
Weight, g/mol:	424.152239
ΔH_f, kcal/mol:	-37.32
Dipole, Da:	2.59
IP(EA), eV:	-9.68(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(4-methyl-6-oxo-2-pyridin-3-yl-1,3-diazinan-5-yl)propanamide

Drug info:

PubChemData

Smile

C1C(C1C(=O)NCC2=CC(=C(C=C2)F)Cl)C3=CC(=CC=C3)Br

DOS

IR

Vibrations