Geometry & MOs

Info

ID:	14082
PubChem CID:	403756
Reduced:	N2O3C18H20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	312.147393
ΔH_f, kcal/mol:	-66.65
Dipole, Da:	4.75
IP(EA), eV:	-8.4(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(4-methoxyphenyl)-4,4-dimethyl-1,5-dihydropyrazol-3-yl]benzene-1,3-diol

Drug info:

PubChemData

Smile

CC1(C(NN=C1C2=C(C=C(C=C2)O)O)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations