Geometry & MOs

Info

ID:	259533
PubChem CID:	103167522
Reduced:	NCl2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	252.183778
ΔH_f, kcal/mol:	-5.01
Dipole, Da:	3.27
IP(EA), eV:	-9.9(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[(3-ethoxycyclobutyl)methyl]-1,3-oxazol-4-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

C1CC(C1)CC(CC2=C(C=NC=C2)Cl)Cl

DOS

IR

Vibrations