Geometry & MOs

Info

ID:	209154
PubChem CID:	80632857
Reduced:	N4C17H28 (1)
Stoich.:	A4B17C28 (1)
Weight, g/mol:	247.204848
ΔH_f, kcal/mol:	41.07
Dipole, Da:	1.76
IP(EA), eV:	-8.3(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(azepan-1-yl)-5-methylpyridin-3-yl]propan-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1N2CCC(CC2)N(C)C)CNC3CC3

DOS

IR

Vibrations