Geometry & MOs

Info

ID:	343606
PubChem CID:	127266782
Reduced:	O3N5C15H21 (1)
Stoich.:	A3B5C15D21 (1)
Weight, g/mol:	323.173273
ΔH_f, kcal/mol:	-40.0
Dipole, Da:	0.95
IP(EA), eV:	-9.98(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(hydroxymethyl)-3-methoxypiperidin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone

Drug info:

PubChemData

Smile

CCCN1C(=CC=N1)C(=O)NC2(CCOCC2)C3=NC(=NO3)C

DOS

IR

Vibrations