Geometry & MOs

Info

ID:	14800
PubChem CID:	420821
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	252.111007
ΔH_f, kcal/mol:	-78.9
Dipole, Da:	3.9
IP(EA), eV:	-9.26(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(propan-2-ylamino)ethyl 4-nitrobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations