Geometry & MOs

Info

ID:	279575
PubChem CID:	103844373
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	279.194677
ΔH_f, kcal/mol:	-60.74
Dipole, Da:	7.21
IP(EA), eV:	-9.37(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=NC=C(C(=C1)C)[N+](=O)[O-])CO

DOS

IR

Vibrations