Geometry & MOs

Info

ID:	339707
PubChem CID:	127261709
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	239.090606
ΔH_f, kcal/mol:	-113.4
Dipole, Da:	3.33
IP(EA), eV:	-9.76(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-nitrophenyl)propyl N-aminocarbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)CC(C)(C)OC(=O)NN

DOS

IR

Vibrations