Geometry & MOs

Info

ID:	157111
PubChem CID:	56422145
Reduced:	SN2O7C16H20 (1)
Stoich.:	AB2C7D16E20 (1)
Weight, g/mol:	331.178358
ΔH_f, kcal/mol:	-197.73
Dipole, Da:	4.3
IP(EA), eV:	-9.66(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(cyclopropylmethoxy)phenyl]-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N2CCCCC2C3OCCO3

DOS

IR

Vibrations