Geometry & MOs

Info

ID:	205269
PubChem CID:	80078440
Reduced:	ON4C14H20 (1)
Stoich.:	AB4C14D20 (1)
Weight, g/mol:	178.020084
ΔH_f, kcal/mol:	7.86
Dipole, Da:	4.96
IP(EA), eV:	-9.05(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpyridine-3-carbonyl isothiocyanate

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)C(=O)N2CC(C2)N3CCNCC3

DOS

IR

Vibrations