Geometry & MOs

Info

ID:	349629
PubChem CID:	127275781
Reduced:	N3O3C20H31 (1)
Stoich.:	A3B3C20D31 (1)
Weight, g/mol:	288.183778
ΔH_f, kcal/mol:	-123.86
Dipole, Da:	4.44
IP(EA), eV:	-8.61(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)CNC(=O)NCC2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations