Geometry & MOs

Info

ID:	183875
PubChem CID:	77084566
Reduced:	ON7C19H21 (1)
Stoich.:	AB7C19D21 (1)
Weight, g/mol:	281.065654
ΔH_f, kcal/mol:	86.03
Dipole, Da:	2.5
IP(EA), eV:	-8.6(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)piperidine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(N=C2CNC(=O)C3=NC4=NC=NN4C(=C3)C(C)C)C

DOS

IR

Vibrations