Geometry & MOs

Info

ID:	202490
PubChem CID:	79679349
Reduced:	ClNC16H22 (1)
Stoich.:	ABC16D22 (1)
Weight, g/mol:	323.12486
ΔH_f, kcal/mol:	11.62
Dipole, Da:	3.43
IP(EA), eV:	-8.92(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(4-bromophenyl)-2-methylcyclopentyl]methyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CC1CCCC1(CNC2CC2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations