Geometry & MOs

Info

ID:	156687
PubChem CID:	56371698
Reduced:	BrNSO4C19H20 (1)
Stoich.:	ABCD4E19F20 (1)
Weight, g/mol:	427.235873
ΔH_f, kcal/mol:	-124.73
Dipole, Da:	3.31
IP(EA), eV:	-8.99(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-(3-ethoxy-4-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC(C)(C(=O)NCC1CC2=CC=CC=C2O1)S(=O)(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations