Geometry & MOs

Info

ID:	364440
PubChem CID:	127315692
Reduced:	ClON3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	267.11384
ΔH_f, kcal/mol:	-28.19
Dipole, Da:	3.68
IP(EA), eV:	-8.84(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloropyridin-2-yl)-(4,7-dimethyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC(=CN2)Cl)C

DOS

IR

Vibrations