Geometry & MOs

Info

ID:	252496
PubChem CID:	103111776
Reduced:	FO2N3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	268.096026
ΔH_f, kcal/mol:	-0.55
Dipole, Da:	4.44
IP(EA), eV:	-9.01(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-methyl-3-nitrophenyl)methylamino]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC2=C(C=CC=N2)F

DOS

IR

Vibrations