Geometry & MOs

Info

ID:	209442
PubChem CID:	80673462
Reduced:	BrNSO3C10H18 (1)
Stoich.:	ABCD3E10F18 (1)
Weight, g/mol:	390.99694
ΔH_f, kcal/mol:	-148.08
Dipole, Da:	5.21
IP(EA), eV:	-9.61(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoethyl)-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopentanamine

Drug info:

PubChemData

Smile

C1CC(OC1)CS(=O)(=O)N2CCC(CC2)Br

DOS

IR

Vibrations