Geometry & MOs

Info

ID:	284881
PubChem CID:	104080085
Reduced:	O2N4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	290.174276
ΔH_f, kcal/mol:	-46.62
Dipole, Da:	5.08
IP(EA), eV:	-9.0(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(hydroxymethyl)-2-methyl-4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]pyridin-3-ol

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CCCNCC2=C(C(=NC=C2CO)C)O

DOS

IR

Vibrations