Geometry & MOs

Info

ID:	167503
PubChem CID:	74837148
Reduced:	O3N5C26H35 (1)
Stoich.:	A3B5C26D35 (1)
Weight, g/mol:	536.243498
ΔH_f, kcal/mol:	-71.35
Dipole, Da:	6.8
IP(EA), eV:	-8.66(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-5-oxo-1,2,4-triazinan-6-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1)C2NC(=O)C(NN2)CCC(=O)N3CCN(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations