Geometry & MOs

Info

ID:	59218
PubChem CID:	24775776
Reduced:	N2P2C7O7H20 (1)
Stoich.:	A2B2C7D7E20 (1)
Weight, g/mol:	114.06808
ΔH_f, kcal/mol:	-456.25
Dipole, Da:	7.19
IP(EA), eV:	-9.74(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxiran-2-yl)but-3-en-1-ol

Drug info:

PubChemData

Smile

C/C(=C\COP(=O)(O)OP(=O)(O)O)/C1CC1.N.N

DOS

IR

Vibrations