Geometry & MOs

Info

ID:	247062
PubChem CID:	103067124
Reduced:	IN3O3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	282.137971
ΔH_f, kcal/mol:	35.57
Dipole, Da:	6.89
IP(EA), eV:	-9.3(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[(3-fluoro-4-nitrophenoxy)methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC(C)NCC(=C)COC1=C(C=C(C=C1I)C#N)[N+](=O)[O-]

DOS

IR

Vibrations