Geometry & MOs

Info

ID:	183806
PubChem CID:	77072448
Reduced:	O2N4C13H24 (1)
Stoich.:	A2B4C13D24 (1)
Weight, g/mol:	250.142976
ΔH_f, kcal/mol:	-86.47
Dipole, Da:	5.85
IP(EA), eV:	-9.38(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-4-hydroxyiminobutan-2-yl)-N,5-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)NCCC2CC2)N

DOS

IR

Vibrations