Geometry & MOs

Info

ID:	421856
PubChem CID:	135116729
Reduced:	ClN2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-74.7
Dipole, Da:	5.44
IP(EA), eV:	-9.27(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propan-2-yloxy-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C(=O)C3=NC=C(C=C3)Cl

DOS

IR

Vibrations