Geometry & MOs

Info

ID:	220734
PubChem CID:	85230801
Reduced:	N2O4C10H15 (1)
Stoich.:	A2B4C10D15 (1)
Weight, g/mol:	227.115758
ΔH_f, kcal/mol:	-121.51
Dipole, Da:	6.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.834214
Charge, e:	0

Chem-info

IUPAC name:

4-(1,2-dihydroxyethyl)-3-methoxy-1-pent-4-ynylazetidin-2-one

Drug info:

PubChemData

Smile

CC12COC(OC1)(OC2)CCC(=C[N+]#N)O

DOS

IR

Vibrations