Geometry & MOs

Info

ID:	265794
PubChem CID:	103546578
Reduced:	BrFNO2C15H21 (1)
Stoich.:	ABCD2E15F21 (1)
Weight, g/mol:	295.178358
ΔH_f, kcal/mol:	-125.6
Dipole, Da:	4.99
IP(EA), eV:	-9.19(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(CC1OCCO1)CC2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations