Geometry & MOs

Info

ID:	147947
PubChem CID:	53787608
Reduced:	NOC3H6 (4)
Stoich.:	ABC3D6 (4)
Weight, g/mol:	102.06808
ΔH_f, kcal/mol:	-172.13
Dipole, Da:	1.11
IP(EA), eV:	-9.61(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroperoxy-3-methylbut-1-ene

Drug info:

PubChemData

Smile

CCC(C)(NC(=O)OC)N=NC(C)(CC)NC(=O)OC

DOS

IR

Vibrations