Geometry & MOs

Info

ID:	177998
PubChem CID:	76261751
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	359.144533
ΔH_f, kcal/mol:	-99.06
Dipole, Da:	6.12
IP(EA), eV:	-9.29(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-ethyl-6-oxo-1,3-diazinan-2-yl)phenyl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

CCC1CC(=O)NC(N1)C2=CC(=CC=C2)NC(=O)COC3=CC=CC=C3C(C)(C)C

DOS

IR

Vibrations