Geometry & MOs

Info

ID:	266440
PubChem CID:	103566330
Reduced:	O2N3H11C15 (1)
Stoich.:	A2B3C11D15 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	38.23
Dipole, Da:	4.36
IP(EA), eV:	-9.11(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-amino-2-methyl-5-propan-2-ylpyrazol-3-yl)oxy-5-methoxybenzonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C#N)OC2=C(C=C(C=C2)N)C#N

DOS

IR

Vibrations