Geometry & MOs

Info

ID:	147914
PubChem CID:	53787574
Reduced:	NOC18H40 (1)
Stoich.:	ABC18D40 (1)
Weight, g/mol:	240.089878
ΔH_f, kcal/mol:	-88.82
Dipole, Da:	1.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750666
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-nitrophenyl)prop-1-en-2-yl]pyridine

Drug info:

PubChemData

Smile

CCCCCCCCCCCC[N+](C)(C)CCCCO

DOS

IR

Vibrations