Geometry & MOs

Info

ID:	81054
PubChem CID:	49854294
Reduced:	N3O3C13H23 (1)
Stoich.:	A3B3C13D23 (1)
Weight, g/mol:	227.199762
ΔH_f, kcal/mol:	-148.52
Dipole, Da:	4.59
IP(EA), eV:	-9.2(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,4-diazepan-1-yl)-N-pentan-3-ylacetamide

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)CN2CCN(CC2)C=O)O

DOS

IR

Vibrations