Geometry & MOs

Info

ID:	169949
PubChem CID:	75173254
Reduced:	F3O3N4C23H23 (1)
Stoich.:	A3B3C4D23E23 (1)
Weight, g/mol:	488.20597
ΔH_f, kcal/mol:	-221.47
Dipole, Da:	6.92
IP(EA), eV:	-9.41(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-(1-phenylethyl)-1,2,4-triazinane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=O)N(C(=O)C(N2)C(=O)N3CCCC3)CC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations