Geometry & MOs

Info

ID:	275318
PubChem CID:	103815137
Reduced:	O2N3C9H15 (1)
Stoich.:	A2B3C9D15 (1)
Weight, g/mol:	200.188863
ΔH_f, kcal/mol:	-47.89
Dipole, Da:	5.94
IP(EA), eV:	-9.27(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methoxypentyl)-1,4-diazepane

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCN(C)CC(=O)O

DOS

IR

Vibrations