Geometry & MOs

Info

ID:	354482
PubChem CID:	127287031
Reduced:	ON3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-13.96
Dipole, Da:	5.09
IP(EA), eV:	-9.21(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2CC1NC(=O)N3CCC(CC3)C#N

DOS

IR

Vibrations