Geometry & MOs

Info

ID:	167230
PubChem CID:	74796313
Reduced:	SO3N4C22H26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	362.231791
ΔH_f, kcal/mol:	-29.6
Dipole, Da:	7.28
IP(EA), eV:	-9.1(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-methyl-3-[3-[4-(2-methylpropoxy)phenyl]-5-oxo-1,2,4-triazinan-6-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)COC1=CC=C(C=C1)C2=NC(=O)C(N=N2)CCC(=O)NCCC3=CC=CS3

DOS

IR

Vibrations