Geometry & MOs

Info

ID:	419553
PubChem CID:	135108410
Reduced:	ON4C12H20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	397.216555
ΔH_f, kcal/mol:	-16.62
Dipole, Da:	2.83
IP(EA), eV:	-8.95(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,6-dimethylpyridine-4-carbonyl)-1,4-diazepan-1-yl]-4-(4-fluorophenyl)butan-1-one

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)N2CCC3(CCCO3)CC2)C

DOS

IR

Vibrations