Geometry & MOs

Info

ID:	140388
PubChem CID:	52690034
Reduced:	ClON3C22H34 (1)
Stoich.:	ABC3D22E34 (1)
Weight, g/mol:	430.306967
ΔH_f, kcal/mol:	-56.75
Dipole, Da:	5.49
IP(EA), eV:	-8.63(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(cyclohexylmethyl)-1,4-diazepan-1-ium-1-yl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1Cl)NC(=O)CN2CCCN(CC2)CC3CCCCC3

DOS

IR

Vibrations