Geometry & MOs

Info

ID:	430570
PubChem CID:	135170636
Reduced:	ClN3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	148.063663
ΔH_f, kcal/mol:	37.56
Dipole, Da:	3.11
IP(EA), eV:	-9.46(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C(C)(C)C)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations