Geometry & MOs

Info

ID:	392136
PubChem CID:	135013225
Reduced:	N3C21H25 (1)
Stoich.:	A3B21C25 (1)
Weight, g/mol:	169.073893
ΔH_f, kcal/mol:	38.12
Dipole, Da:	3.59
IP(EA), eV:	-7.04(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-1-pyridin-4-ylpropane-1,2,3-triol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)NC(=C(N2)C3=CC=CC=C3)NC4CCCC4

DOS

IR

Vibrations