Geometry & MOs

Info

ID:	246478
PubChem CID:	103060386
Reduced:	ON2C17H28 (1)
Stoich.:	AB2C17D28 (1)
Weight, g/mol:	242.199428
ΔH_f, kcal/mol:	-40.11
Dipole, Da:	2.52
IP(EA), eV:	-8.75(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(4-aminooxan-3-yl)methyl]azepan-2-yl]methanol

Drug info:

PubChemData

Smile

CCNC1CCOCC1CN(C)CCC2=CC=CC=C2

DOS

IR

Vibrations