Geometry & MOs

Info

ID:	211858
PubChem CID:	81054523
Reduced:	ON4C14H22 (1)
Stoich.:	AB4C14D22 (1)
Weight, g/mol:	275.145619
ΔH_f, kcal/mol:	-7.27
Dipole, Da:	4.96
IP(EA), eV:	-8.74(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[cyclopropyl(cyclopropylmethyl)amino]-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1CN(CC1C)C2=C(C(=NC(=C2)C)C)/C(=N/O)/N

DOS

IR

Vibrations