Geometry & MOs

Info

ID:	399084
PubChem CID:	135037570
Reduced:	NO2C8H15 (1)
Stoich.:	AB2C8D15 (1)
Weight, g/mol:	181.121512
ΔH_f, kcal/mol:	-102.85
Dipole, Da:	3.17
IP(EA), eV:	-9.24(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-dimethyl-N'-(1-oxidopyridin-1-ium-4-yl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

C/C(=C(\C)/C(N)O)/CC(=O)C

DOS

IR

Vibrations