Geometry & MOs

Info

ID:	285489
PubChem CID:	104109884
Reduced:	ClNSC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	229.159728
ΔH_f, kcal/mol:	-11.74
Dipole, Da:	2.34
IP(EA), eV:	-8.67(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloropentan-2-amine

Drug info:

PubChemData

Smile

CC(CC(C)Cl)NCCSC1=CC=CC=C1

DOS

IR

Vibrations