Geometry & MOs

Info

ID:	347710
PubChem CID:	127272590
Reduced:	ON3C15H29 (1)
Stoich.:	AB3C15D29 (1)
Weight, g/mol:	253.215413
ΔH_f, kcal/mol:	-65.37
Dipole, Da:	3.69
IP(EA), eV:	-8.59(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-1,4-diazepan-1-yl)-1-(2-methylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)CN2CCCN(CC2)C)C

DOS

IR

Vibrations