Geometry & MOs

Info

ID:	279036
PubChem CID:	103840683
Reduced:	ON2C13H24 (1)
Stoich.:	AB2C13D24 (1)
Weight, g/mol:	231.137162
ΔH_f, kcal/mol:	-72.91
Dipole, Da:	4.25
IP(EA), eV:	-8.98(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,4-diazepan-1-yl)-4-methoxybenzonitrile

Drug info:

PubChemData

Smile

CC1(CCCCC1)C(=O)N2CCCNCC2

DOS

IR

Vibrations