Geometry & MOs

Info

ID:	170778
PubChem CID:	75277661
Reduced:	F3N3O4C16H18 (1)
Stoich.:	A3B3C4D16E18 (1)
Weight, g/mol:	446.135698
ΔH_f, kcal/mol:	-311.35
Dipole, Da:	4.22
IP(EA), eV:	-9.47(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-nitrophenyl)-4-[4-(4-methoxyphenyl)-6-oxo-1,3-diazinan-1-yl]butanamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC=C(C=C1)OC(F)(F)F)C(=O)C2CCC(=O)NC2

DOS

IR

Vibrations