Geometry & MOs

Info

ID:	266456
PubChem CID:	103567093
Reduced:	NO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	-45.63
Dipole, Da:	3.86
IP(EA), eV:	-9.03(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-5-[(1-propan-2-ylpyrazol-3-yl)methoxy]benzonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C#N)OCCCOC2=CC=CC=C2

DOS

IR

Vibrations