Geometry & MOs

Info

ID:	281703
PubChem CID:	103914242
Reduced:	BrFON2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	281.137556
ΔH_f, kcal/mol:	-82.84
Dipole, Da:	4.93
IP(EA), eV:	-9.34(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methoxy-5-nitrophenyl)methylamino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC1=CC(=CC(=C1)Br)F

DOS

IR

Vibrations