Geometry & MOs

Info

ID:	151355
PubChem CID:	53801126
Reduced:	Cl2S2O7H10C14 (1)
Stoich.:	A2B2C7D10E14 (1)
Weight, g/mol:	338.176106
ΔH_f, kcal/mol:	-242.0
Dipole, Da:	2.08
IP(EA), eV:	-10.76(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-chloro-3-methyl-2-(methylamino)cycloheptyl]methoxy]-N-phenylacetamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)Cl)OC2=CC=C(C=C2)S(=O)(=O)Cl

DOS

IR

Vibrations