Geometry & MOs

Info

ID:	264533
PubChem CID:	103469183
Reduced:	SN4C11H14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	220.132411
ΔH_f, kcal/mol:	57.15
Dipole, Da:	6.96
IP(EA), eV:	-8.36(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-6-[(3-hydroxy-2-methylbutan-2-yl)amino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CC(CSC1)NC2=NC(=C(C=C2)N)C#N

DOS

IR

Vibrations