Geometry & MOs

Info

ID:	14769
PubChem CID:	420072
Reduced:	NO2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	336.204907
ΔH_f, kcal/mol:	-102.06
Dipole, Da:	4.79
IP(EA), eV:	-8.96(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl(octan-2-yl)amino]ethyl 4-nitrobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations