Geometry & MOs

Info

ID:	364565
PubChem CID:	127315817
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	247.148476
ΔH_f, kcal/mol:	10.76
Dipole, Da:	3.95
IP(EA), eV:	-8.44(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,7-dimethyl-1,4-diazepan-1-yl)-6-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC1CCN(CCN1C2=NC3=CC=CC=C3O2)C

DOS

IR

Vibrations