Geometry & MOs

Info

ID:	294870
PubChem CID:	117501560
Reduced:	BrFNO2C13H15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	315.04701
ΔH_f, kcal/mol:	-100.98
Dipole, Da:	1.89
IP(EA), eV:	-8.96(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-bromo-2,4,5-trimethoxyphenyl)methyl]cyclopropan-1-amine

Drug info:

PubChemData

Smile

C1CC(CNC1)CC2=C3C(=CC(=C2F)Br)OCO3

DOS

IR

Vibrations