Geometry & MOs

Info

ID:	244409
PubChem CID:	99350632
Reduced:	FN2O3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	486.187875
ΔH_f, kcal/mol:	-129.98
Dipole, Da:	1.73
IP(EA), eV:	-7.7(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC(=O)NC[C@@H]2CCN(C2)C3=CC=CC=C3OC)F

DOS

IR

Vibrations