Geometry & MOs

Info

ID:	347709
PubChem CID:	127272589
Reduced:	SO2N3C19H29 (1)
Stoich.:	AB2C3D19E29 (1)
Weight, g/mol:	267.231063
ΔH_f, kcal/mol:	-85.31
Dipole, Da:	2.2
IP(EA), eV:	-8.82(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylpiperidin-1-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanone

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)NC(=O)C2CCCCN2C(=O)C3=CC=CS3

DOS

IR

Vibrations