Geometry & MOs

Info

ID:	381593
PubChem CID:	134972376
Reduced:	O2C13H14 (1)
Stoich.:	A2B13C14 (1)
Weight, g/mol:	171.089543
ΔH_f, kcal/mol:	-20.75
Dipole, Da:	2.19
IP(EA), eV:	-9.53(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methylidene]hydroxylamine

Drug info:

PubChemData

Smile

COC(=O)C(CC#C)CC1=CC=CC=C1

DOS

IR

Vibrations