Geometry & MOs

Info

ID:	260147
PubChem CID:	103183017
Reduced:	OCl2N2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	230.163043
ΔH_f, kcal/mol:	-15.02
Dipole, Da:	4.62
IP(EA), eV:	-8.94(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-methoxypropoxy)ethyl]-1,4-diazepan-2-one

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1N)C)COC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations