Geometry & MOs

Info

ID:	267240
PubChem CID:	103581482
Reduced:	BrClON2C15H18 (1)
Stoich.:	ABCD2E15F18 (1)
Weight, g/mol:	330.04984
ΔH_f, kcal/mol:	15.11
Dipole, Da:	2.11
IP(EA), eV:	-9.03(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(CNCC1=CC(=C(C=C1)Br)Cl)C2=CC=CO2

DOS

IR

Vibrations