Geometry & MOs

Info

ID:	212372
PubChem CID:	81060294
Reduced:	ClSN3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	257.189198
ΔH_f, kcal/mol:	42.68
Dipole, Da:	5.53
IP(EA), eV:	-8.41(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[(2-methylcycloheptyl)amino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)N(C)CC2=CC=CC=C2Cl

DOS

IR

Vibrations