Geometry & MOs

Info

ID:	247067
PubChem CID:	103067176
Reduced:	NO2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	298.10842
ΔH_f, kcal/mol:	-56.42
Dipole, Da:	7.91
IP(EA), eV:	-8.96(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[(5-chloro-2-nitrophenoxy)methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC(C)NCC(=C)COC1=C(C=C(C=C1)[N+](=O)[O-])OC

DOS

IR

Vibrations