Geometry & MOs

Info

ID:	260140
PubChem CID:	103182728
Reduced:	NO3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-112.85
Dipole, Da:	2.53
IP(EA), eV:	-9.14(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-amino-3,5-dimethylpyridin-2-yl)methyl]azepane-2,7-dione

Drug info:

PubChemData

Smile

COCCCOCCN(CCO)CC1=CC=CC=C1

DOS

IR

Vibrations