Geometry & MOs

Info

ID:	78434
PubChem CID:	49689626
Reduced:	Cl2N3O4C19H21 (1)
Stoich.:	A2B3C4D19E21 (1)
Weight, g/mol:	432.164499
ΔH_f, kcal/mol:	-109.05
Dipole, Da:	2.11
IP(EA), eV:	-9.31(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dimethoxy-N-[[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]methyl]-2-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N2CCC(CC2)CNC(=O)COC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations