Geometry & MOs

Info

ID:	188034
PubChem CID:	77658623
Reduced:	IN3O7H26C27 (1)
Stoich.:	AB3C7D26E27 (1)
Weight, g/mol:	366.17102
ΔH_f, kcal/mol:	-207.27
Dipole, Da:	9.82
IP(EA), eV:	-8.81(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]cyclohexan-1-amine;hydrate;hydrochloride

Drug info:

PubChemData

Smile

CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)C5=CC(=C(C=C5)I)N

DOS

IR

Vibrations