Geometry & MOs

Info

ID:	364501
PubChem CID:	127315753
Reduced:	OSN3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	284.109169
ΔH_f, kcal/mol:	-16.93
Dipole, Da:	5.12
IP(EA), eV:	-8.96(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-6-fluorophenyl)-(4,7-dimethyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=C(N=CS2)C)C

DOS

IR

Vibrations