Geometry & MOs

Info

ID:	203783
PubChem CID:	79869300
Reduced:	NO6C10H11 (1)
Stoich.:	AB6C10D11 (1)
Weight, g/mol:	277.106256
ΔH_f, kcal/mol:	-202.22
Dipole, Da:	3.53
IP(EA), eV:	-9.73(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-ethyl-2-methyl-4-nitropyrazol-3-yl)oxyphenyl]methanol

Drug info:

PubChemData

Smile

C1C(OC(=O)N1)COC2=COC(=CC2=O)CO

DOS

IR

Vibrations