Geometry & MOs

Info

ID:	78718
PubChem CID:	49703910
Reduced:	N3O4C24H27 (1)
Stoich.:	A3B4C24D27 (1)
Weight, g/mol:	475.171891
ΔH_f, kcal/mol:	-90.79
Dipole, Da:	8.83
IP(EA), eV:	-8.87(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)C(C)C(=O)NCCC3=CC(=CC=C3)OC

DOS

IR

Vibrations