Geometry & MOs

Info

ID:	272044
PubChem CID:	103720651
Reduced:	BrNO3C14H22 (1)
Stoich.:	ABC3D14E22 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-123.01
Dipole, Da:	2.57
IP(EA), eV:	-8.71(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-4-nitrophenyl)-1-(2-methylpropyl)piperidin-4-amine

Drug info:

PubChemData

Smile

CC(C)(CCO)CNCC1=CC(=C(C(=C1)Br)O)OC

DOS

IR

Vibrations