Geometry & MOs

Info

ID:	14768
PubChem CID:	420066
Reduced:	N2O4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	322.189257
ΔH_f, kcal/mol:	-100.86
Dipole, Da:	2.28
IP(EA), eV:	-9.21(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(octan-2-ylamino)ethyl 3-nitrobenzoate

Drug info:

PubChemData

Smile

CCCCCCC(C)NCCOC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations