Geometry & MOs

Info

ID:	293080
PubChem CID:	117373422
Reduced:	N2O3C13H16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	248.116092
ΔH_f, kcal/mol:	-98.67
Dipole, Da:	3.18
IP(EA), eV:	-8.96(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(isocyanatomethyl)-2-methoxyphenoxy]-1-methylazetidine

Drug info:

PubChemData

Smile

C1CN(NC1=O)C2=CC=C(C=C2)CCCC(=O)O

DOS

IR

Vibrations