Geometry & MOs

Info

ID:	286663
PubChem CID:	104179630
Reduced:	NSC10H21 (1)
Stoich.:	ABC10D21 (1)
Weight, g/mol:	262.142976
ΔH_f, kcal/mol:	-8.62
Dipole, Da:	2.86
IP(EA), eV:	-8.52(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CC1NCCCSCC

DOS

IR

Vibrations