Geometry & MOs

Info

ID:	247068
PubChem CID:	103067181
Reduced:	ClN2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	282.137971
ΔH_f, kcal/mol:	-37.36
Dipole, Da:	3.54
IP(EA), eV:	-9.03(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[(4-fluoro-2-nitrophenoxy)methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations