Geometry & MOs

Info

ID:	382597
PubChem CID:	134973855
Reduced:	O4C27H30 (1)
Stoich.:	A4B27C30 (1)
Weight, g/mol:	112.088815
ΔH_f, kcal/mol:	-84.36
Dipole, Da:	5.08
IP(EA), eV:	-8.84(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-[(Z)-prop-1-enyl]oxirane

Drug info:

PubChemData

Smile

CC1[C@@H](C(C(CO1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations