Geometry & MOs

Info

ID:	374192
PubChem CID:	131325298
Reduced:	NOC3H3 (2)
Stoich.:	ABC3D3 (2)
Weight, g/mol:	220.157563
ΔH_f, kcal/mol:	1.91
Dipole, Da:	2.32
IP(EA), eV:	-10.78(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1,4-diazepan-1-yl)ethyl]phenol

Drug info:

PubChemData

Smile

C1=NOC(=C1C#N)CCO

DOS

IR

Vibrations