Geometry & MOs

Info

ID:	293035
PubChem CID:	117370756
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	-15.75
Dipole, Da:	2.82
IP(EA), eV:	-8.62(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-amino-1-methylpyrazol-4-yl)-4-methoxy-2,3-dimethylphenol

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)OC)C2=C(N(N=C2)C)N)OC

DOS

IR

Vibrations