Geometry & MOs

Info

ID:	343565
PubChem CID:	127266738
Reduced:	ClON4C18H21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	330.124739
ΔH_f, kcal/mol:	15.67
Dipole, Da:	6.6
IP(EA), eV:	-8.94(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-6-(4-pyridazin-3-yl-1,4-diazepan-1-yl)phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC=C1Cl)N2CCCC(C2)C3=NN=C4N3CCC4

DOS

IR

Vibrations