Geometry & MOs

Info

ID:	177997
PubChem CID:	76261687
Reduced:	O4N5C23H31 (1)
Stoich.:	A4B5C23D31 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-169.84
Dipole, Da:	9.42
IP(EA), eV:	-9.02(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CC(=O)NC(N1)C2=CC(=CC=C2)NC(=O)CN3C(=O)C4(CCCCC4)N(C3=O)C

DOS

IR

Vibrations