Geometry & MOs

Info

ID:	370369
PubChem CID:	127338357
Reduced:	ClON3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	336.183778
ΔH_f, kcal/mol:	-30.36
Dipole, Da:	5.4
IP(EA), eV:	-8.8(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)C(=C(C=N1)N2CCC3(CCCC3)CC2)Cl

DOS

IR

Vibrations