Geometry & MOs

Info

ID:	212611
PubChem CID:	81061195
Reduced:	N3C11H15 (1)
Stoich.:	A3B11C15 (1)
Weight, g/mol:	281.116427
ΔH_f, kcal/mol:	21.31
Dipole, Da:	5.06
IP(EA), eV:	-9.11(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations