Geometry & MOs

Info

ID:	212496
PubChem CID:	81060736
Reduced:	ON3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	335.00918
ΔH_f, kcal/mol:	16.81
Dipole, Da:	3.83
IP(EA), eV:	-8.92(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromothiophen-2-yl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)NC2=C(C(=NC(=C2)C)C)C#N

DOS

IR

Vibrations