Geometry & MOs

Info

ID:	271370
PubChem CID:	103670542
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	287.124547
ΔH_f, kcal/mol:	-22.88
Dipole, Da:	4.97
IP(EA), eV:	-9.27(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methoxypentylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)NCCCOCC2CC2)[N+](=O)[O-]

DOS

IR

Vibrations