Geometry & MOs

Info

ID:	48363
PubChem CID:	10539213
Reduced:	NO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	266.151809
ΔH_f, kcal/mol:	-100.91
Dipole, Da:	3.02
IP(EA), eV:	-9.17(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]ethanol

Drug info:

PubChemData

Smile

CCC(=O)C1=C(C(=O)N(CC1)C2=CC=CC(=C2)C)O

DOS

IR

Vibrations