Geometry & MOs

Info

ID:	224657
PubChem CID:	85345769
Reduced:	ClN2O3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	323.173273
ΔH_f, kcal/mol:	-116.52
Dipole, Da:	6.95
IP(EA), eV:	-9.69(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2-phenylmethoxypropyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCC(=O)C(=C1)C2=CN=C(C=C2)Cl

DOS

IR

Vibrations