Geometry & MOs

Info

ID:	242641
PubChem CID:	97857683
Reduced:	SN2O2C17H20 (1)
Stoich.:	AB2C2D17E20 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-19.08
Dipole, Da:	2.71
IP(EA), eV:	-9.28(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-hydroxy-4,4-dimethylpentan-3-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N(CC2=CC=CC=C2)[C@H](CO)C3CC3

DOS

IR

Vibrations