Geometry & MOs

Info

ID:	58503
PubChem CID:	24702081
Reduced:	OSN2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	189.126598
ΔH_f, kcal/mol:	7.37
Dipole, Da:	3.96
IP(EA), eV:	-8.81(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylbutan-2-ylamino)pyridine-4-carbonitrile

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)C2=CC=CC(=C2)C(=S)N

DOS

IR

Vibrations