Geometry & MOs

Info

ID:	212368
PubChem CID:	81060287
Reduced:	N4C13H20 (1)
Stoich.:	A4B13C20 (1)
Weight, g/mol:	370.99034
ΔH_f, kcal/mol:	40.18
Dipole, Da:	5.34
IP(EA), eV:	-8.83(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromo-4,6-difluoroanilino)-2,6-dimethylpyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N(C)CCN(C)C

DOS

IR

Vibrations