Geometry & MOs

Info

ID:	258573
PubChem CID:	103155294
Reduced:	N3O4C12H23 (1)
Stoich.:	A3B4C12D23 (1)
Weight, g/mol:	273.205242
ΔH_f, kcal/mol:	-176.15
Dipole, Da:	3.24
IP(EA), eV:	-9.08(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]butan-1-one

Drug info:

PubChemData

Smile

COC(CC(=O)N1CCN(CC1)CC(=O)OC)CN

DOS

IR

Vibrations