Geometry & MOs

Info

ID:	130505
PubChem CID:	51090983
Reduced:	N2O2C21H28 (1)
Stoich.:	A2B2C21D28 (1)
Weight, g/mol:	333.205242
ΔH_f, kcal/mol:	-69.65
Dipole, Da:	7.62
IP(EA), eV:	-9.03(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-3-nitrophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2CCCN2C(=O)C3CCCN(C3)C(=O)C4CC4

DOS

IR

Vibrations