Geometry & MOs

Info

ID:	441712
PubChem CID:	135241621
Reduced:	O2N9H21C24 (1)
Stoich.:	A2B9C21D24 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	118.63
Dipole, Da:	9.78
IP(EA), eV:	-9.25(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclopentylpyridin-2-yl)methanol

Drug info:

PubChemData

Smile

COC(=O)C1CN(C1)C2=CC=CC(=N2)CN3C=C(N=N3)C4=NC(=NC(=C4)C5=CC=C(C=C5)C#N)N

DOS

IR

Vibrations