Geometry & MOs

Info

ID:	21317
PubChem CID:	587918
Reduced:	N2O4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	-86.81
Dipole, Da:	3.82
IP(EA), eV:	-8.54(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-ethyl-2-methylpiperidin-1-yl)ethyl 2-nitrobenzoate

Drug info:

PubChemData

Smile

CCC1CCC(N(C1)CCOC(=O)C2=CC=CC=C2[N+](=O)[O-])C

DOS

IR

Vibrations