Geometry & MOs

Info

ID:	83719
PubChem CID:	49860593
Reduced:	ClO2N8C25H33 (1)
Stoich.:	AB2C8D25E33 (1)
Weight, g/mol:	333.149557
ΔH_f, kcal/mol:	-12.29
Dipole, Da:	9.37
IP(EA), eV:	-8.83(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)ethyl naphthalene-1-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

C1CCC(C1)CN2CCC(CC2)N3C(=NN=N3)CCCOC4=CC5=CC6=C(NC(=O)N6)N=C5C=C4.Cl

DOS

IR

Vibrations