Geometry & MOs

Info

ID:	222212
PubChem CID:	85295229
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-137.46
Dipole, Da:	2.0
IP(EA), eV:	-8.93(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxiran-2-yl)-4-phenylmethoxybutan-2-ol

Drug info:

PubChemData

Smile

CC1=C2CCC(C2C(C=C1)C(=O)OC)(C)O

DOS

IR

Vibrations