Geometry & MOs

Info

ID:	57915
PubChem CID:	24278514
Reduced:	N3C13H21 (1)
Stoich.:	A3B13C21 (1)
Weight, g/mol:	238.15037
ΔH_f, kcal/mol:	16.28
Dipole, Da:	3.68
IP(EA), eV:	-8.9(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azepan-1-yl)-3-thiophen-2-ylpropan-1-amine

Drug info:

PubChemData

Smile

C1CCN(CC1)C(CCN)C2=CN=CC=C2

DOS

IR

Vibrations