Geometry & MOs

Info

ID:	199380
PubChem CID:	79238919
Reduced:	N3O4C13H13 (1)
Stoich.:	A3B4C13D13 (1)
Weight, g/mol:	253.121512
ΔH_f, kcal/mol:	-24.19
Dipole, Da:	8.75
IP(EA), eV:	-8.93(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-aminopyridin-2-yl)methoxy]-3,5-dimethylbenzonitrile

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OCC2=NC(=CC=C2)N)[N+](=O)[O-]

DOS

IR

Vibrations