Geometry & MOs

Info

ID:	248387
PubChem CID:	103081245
Reduced:	BrNOF2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	218.123069
ΔH_f, kcal/mol:	-119.98
Dipole, Da:	2.83
IP(EA), eV:	-9.49(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-difluoroethoxy)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNCCOCC(F)F)Br

DOS

IR

Vibrations