Geometry & MOs

Info

ID:	196076
PubChem CID:	78775989
Reduced:	BrN2O2C19H19 (1)
Stoich.:	AB2C2D19E19 (1)
Weight, g/mol:	364.17467
ΔH_f, kcal/mol:	-27.76
Dipole, Da:	6.18
IP(EA), eV:	-9.16(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-3,5-dinitrobenzamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Br)NC(=O)C2=CC(=CC=C2)NC(=O)C3CC3

DOS

IR

Vibrations