Geometry & MOs

Info

ID:	281343
PubChem CID:	103913733
Reduced:	ON2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	37.11
Dipole, Da:	3.42
IP(EA), eV:	-9.15(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CNC(C)C2=CC=C(C=C2)OCC#N

DOS

IR

Vibrations