Geometry & MOs

Info

ID:	78427
PubChem CID:	49689588
Reduced:	Cl2N3O3C18H19 (1)
Stoich.:	A2B3C3D18E19 (1)
Weight, g/mol:	406.104397
ΔH_f, kcal/mol:	-69.21
Dipole, Da:	7.0
IP(EA), eV:	-9.65(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations