Geometry & MOs

Info

ID:	308113
PubChem CID:	125317008
Reduced:	ON3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	432.168522
ΔH_f, kcal/mol:	31.5
Dipole, Da:	4.3
IP(EA), eV:	-9.06(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-4-(4-methoxyphenoxy)-3-methyl-3H-pyrazol-5-yl]-5-[(3-methoxyphenyl)methoxy]phenol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=NC2)N

DOS

IR

Vibrations