Geometry & MOs

Info

ID:	256355
PubChem CID:	103138718
Reduced:	N3C18H25 (1)
Stoich.:	A3B18C25 (1)
Weight, g/mol:	248.163711
ΔH_f, kcal/mol:	21.79
Dipole, Da:	3.41
IP(EA), eV:	-8.07(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCC1)C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations