Geometry & MOs

Info

ID:	281346
PubChem CID:	103913739
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	51.26
Dipole, Da:	4.13
IP(EA), eV:	-9.14(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]ethyl]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCNC(C)C2=CC=C(C=C2)OCC#N

DOS

IR

Vibrations