Geometry & MOs

Info

ID:	210438
PubChem CID:	80807622
Reduced:	SN5C12H17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	57.78
Dipole, Da:	3.85
IP(EA), eV:	-8.38(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,4-dimethylpiperidin-1-yl)-2-nitro-N-propylaniline

Drug info:

PubChemData

Smile

CCCNC1=CN=CC(=N1)NCC2=CN=C(S2)C

DOS

IR

Vibrations