Geometry & MOs

Info

ID:	422081
PubChem CID:	135117154
Reduced:	SN2O2C15H16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	303.158292
ΔH_f, kcal/mol:	-24.1
Dipole, Da:	4.44
IP(EA), eV:	-9.63(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-6-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CO1)NC(=O)C2=CSC=C2)CC3=CC=NC=C3

DOS

IR

Vibrations