Geometry & MOs

Info

ID:	203765
PubChem CID:	79867766
Reduced:	ON6C11H16 (1)
Stoich.:	AB6C11D16 (1)
Weight, g/mol:	250.142976
ΔH_f, kcal/mol:	17.95
Dipole, Da:	4.02
IP(EA), eV:	-8.57(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(5-methyl-3-nitropyridin-2-yl)piperidin-4-amine

Drug info:

PubChemData

Smile

CC1CN(CCC1N)C2=CC3=NNC(=O)N3C=N2

DOS

IR

Vibrations