Geometry & MOs

Info

ID:	247088
PubChem CID:	103067496
Reduced:	BrNOF2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	296.153621
ΔH_f, kcal/mol:	-107.62
Dipole, Da:	0.9
IP(EA), eV:	-8.81(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[(2-fluoro-5-methyl-4-nitrophenoxy)methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)NCC(=C)COC1=C(C=C(C=C1Br)F)F

DOS

IR

Vibrations