Geometry & MOs

Info

ID:	85671
PubChem CID:	49877946
Reduced:	O2N4C20H27 (1)
Stoich.:	A2B4C20D27 (1)
Weight, g/mol:	279.182101
ΔH_f, kcal/mol:	53.41
Dipole, Da:	23.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.814825
Charge, e:	1

Chem-info

IUPAC name:

trimethyl-[3-[[(6Z)-1-methyl-6-(nitrosomethylidene)pyridine-3-carbonyl]amino]propyl]azanium

Drug info:

PubChemData

Smile

CN\1C=CC(=C/C1=C/N=O)C(=O)NCCC[N+](C)(C)CC2=CC=CC=C2

DOS

IR

Vibrations