Geometry & MOs

Info

ID:	174884
PubChem CID:	75826166
Reduced:	ClNOSC4H4 (1)
Stoich.:	ABCDE4F4 (1)
Weight, g/mol:	369.217818
ΔH_f, kcal/mol:	-21.37
Dipole, Da:	4.56
IP(EA), eV:	-9.69(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[3-(3,4-dihydroisoquinolin-1-ylmethyl)-1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetate

Drug info:

PubChemData

Smile

C1C=NC(S1)C(=O)Cl

DOS

IR

Vibrations