Geometry & MOs

Info

ID:	443247
PubChem CID:	135258278
Reduced:	BrN4O4C11H13 (1)
Stoich.:	AB4C4D11E13 (1)
Weight, g/mol:	222.16198
ΔH_f, kcal/mol:	-118.08
Dipole, Da:	1.88
IP(EA), eV:	-8.95(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethoxypropyl)-4-propan-2-yloxybenzene

Drug info:

PubChemData

Smile

C1=C(C2=C(N=CN=C2N1[C@@H]3C([C@H]([C@H](O3)CO)O)O)N)Br

DOS

IR

Vibrations