Geometry & MOs

Info

ID:	145338
PubChem CID:	53502999
Reduced:	ON5C13H23 (1)
Stoich.:	AB5C13D23 (1)
Weight, g/mol:	345.252861
ΔH_f, kcal/mol:	-13.37
Dipole, Da:	3.05
IP(EA), eV:	-8.9(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-4-methyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(CN1C=CC=N1)NC(=O)N2CCCN(CC2)C

DOS

IR

Vibrations