Geometry & MOs

Info

ID:	267285
PubChem CID:	103581626
Reduced:	BrClNF2H11C14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	316.03419
ΔH_f, kcal/mol:	-47.36
Dipole, Da:	3.57
IP(EA), eV:	-9.63(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-chlorophenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CNCC2=CC(=C(C=C2)Br)Cl)F)F

DOS

IR

Vibrations