Geometry & MOs

Info

ID:	312566
PubChem CID:	126606535
Reduced:	ClON5H22C24 (1)
Stoich.:	ABC5D22E24 (1)
Weight, g/mol:	169.18305
ΔH_f, kcal/mol:	101.87
Dipole, Da:	5.9
IP(EA), eV:	-9.6(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-6-propylazepane

Drug info:

PubChemData

Smile

CC1=NN=C2N1C3=CC=CC=C3C(=CC2CC4=NC(=NO4)C(C)C)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations