Geometry & MOs

Info

ID:	141371
PubChem CID:	52869401
Reduced:	NOF3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	355.150761
ΔH_f, kcal/mol:	-215.64
Dipole, Da:	6.27
IP(EA), eV:	-10.01(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-oxo-N-[(1S)-1-[3-(trifluoromethyl)phenyl]butyl]-4,5-dihydropyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C1=CC(=CC=C1)C(F)(F)F)NC(=O)C

DOS

IR

Vibrations