Geometry & MOs

Info

ID:	212595
PubChem CID:	81061146
Reduced:	SN3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	205.121512
ΔH_f, kcal/mol:	45.3
Dipole, Da:	6.92
IP(EA), eV:	-8.48(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-hydroxypropan-2-ylamino)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2N1C3=C(C(=NC(=C3)C)C)C(=S)N

DOS

IR

Vibrations