Geometry & MOs

Info

ID:	354416
PubChem CID:	127286660
Reduced:	N3O3C17H31 (1)
Stoich.:	A3B3C17D31 (1)
Weight, g/mol:	255.158292
ΔH_f, kcal/mol:	-162.78
Dipole, Da:	3.56
IP(EA), eV:	-8.97(1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-N-[1-(oxolan-2-yl)ethyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1CCCO1)NC(=O)NCC2(CCOCC2)N3CCCC3

DOS

IR

Vibrations