Geometry & MOs

Info

ID:	364509
PubChem CID:	127315761
Reduced:	ON4C12H20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	284.109169
ΔH_f, kcal/mol:	-2.56
Dipole, Da:	6.2
IP(EA), eV:	-8.66(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations