Geometry & MOs

Info

ID:	367144
PubChem CID:	127323430
Reduced:	N3O4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	269.173942
ΔH_f, kcal/mol:	-146.02
Dipole, Da:	3.23
IP(EA), eV:	-8.61(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCC(C1=O)NC(=O)N2CCCC2C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations