Geometry & MOs

Info

ID:	201104
PubChem CID:	79489877
Reduced:	OSN2C17H30 (1)
Stoich.:	ABC2D17E30 (1)
Weight, g/mol:	308.22862
ΔH_f, kcal/mol:	-41.15
Dipole, Da:	1.32
IP(EA), eV:	-8.69(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-N-propylcycloheptan-1-amine

Drug info:

PubChemData

Smile

CC(C)NCC1(CCCOC1)CN(C)CCC2=CC=CS2

DOS

IR

Vibrations