Geometry & MOs

Info

ID:	170190
PubChem CID:	75205538
Reduced:	ClOF3N5C22H27 (1)
Stoich.:	ABC3D5E22F27 (1)
Weight, g/mol:	335.148121
ΔH_f, kcal/mol:	-151.79
Dipole, Da:	9.37
IP(EA), eV:	-8.82(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,3-dimethoxyphenyl)methyl]-2-(2,4-dioxo-1,3-diazinan-1-yl)-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C=CC(=O)N2CCCN(CC2)C3=NC=C(C=C3)C(F)(F)F)Cl)CC(C)C

DOS

IR

Vibrations