Geometry & MOs

Info

ID:	28301
PubChem CID:	826920
Reduced:	OSN3C17H17 (1)
Stoich.:	ABC3D17E17 (1)
Weight, g/mol:	234.173213
ΔH_f, kcal/mol:	23.88
Dipole, Da:	2.93
IP(EA), eV:	-9.28(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2-ditert-butylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC=CC(=C1)C(=O)NC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations